N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride

C20H31ClN4O2 — CID 154898309

IUPACN-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride
SMILESC/C=C(\C)CN1C[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-5-12(2)9-24-10-17(15-6-7-15)18(11-24)23-19(25)8-16-13(3)21-14(4)22-20(16)26;/h5,15,17-18H,6-11H2,1-4H3,(H,23,25)(H,21,22,26);1H/b12-5+;/t17-,18+;/m1./s1
InChIKeyALMPSKBDDIQOTG-MUHMSLEOSA-N
MW394.95 g/mol
LogP2.14
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride (PubChem CID 154898309) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride
PubChem CID154898309
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride
SMILESC/C=C(\C)CN1C[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-5-12(2)9-24-10-17(15-6-7-15)18(11-24)23-19(25)8-16-13(3)21-14(4)22-20(16)26;/h5,15,17-18H,6-11H2,1-4H3,(H,23,25)(H,21,22,26);1H/b12-5+;/t17-,18+;/m1./s1
InChIKeyALMPSKBDDIQOTG-MUHMSLEOSA-N
XLogP2.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{(3R*,4S*)-4-cyclopropyl-1-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-pyrrolidinyl}cyclopentanecarboxamide
CID 136232293
2-(cyclopropylmethyl)-7-[(1-isopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136232514
N-{(3R*,4S*)-4-cyclopropyl-1-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-pyrrolidinyl}cyclobutanecarboxamide
CID 136264115
2,6-dimethyl-5-{2-[(3aR*,7aS*)-5-methyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-2-oxoethyl}-4(3H)-pyrimidinone
CID 136185500
5-{2-[(3R*,4S*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 72851740
N-[rel-(3R,4S)-4-cyclopropyl-1-(3-methoxypropyl)-3-pyrrolidinyl]-2-(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide hydrochloride
CID 72917120
N-[(3R*,4S*)-4-cyclopropyl-1-(3-methoxypropyl)-3-pyrrolidinyl]-2-(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide
CID 133121399
5-[2-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 133134147
(3S*,4R*)-3-cyclopropyl-4-{[(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]amino}-N,N-dimethylpyrrolidine-1-carboxamide
CID 136216827
5-{2-[(3S*,4R*)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl}-2-ethyl-6-methylpyrimidin-4(3H)-one
CID 136217029
2-(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)-N-[rel-(3R,4S)-1-(3-hydroxypropyl)-4-isopropyl-3-pyrrolidinyl]acetamide hydrochloride
CID 136218457
2-(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)-N-[rel-(3R,4S)-4-isopropyl-1-(2-methoxyethyl)-3-pyrrolidinyl]acetamide hydrochloride
CID 136218511

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride (CID 154898309) is N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride is C/C=C(\C)CN1C[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](C2CC2)C1.Cl.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride?
The InChIKey is ALMPSKBDDIQOTG-MUHMSLEOSA-N. The full InChI is InChI=1S/C20H30N4O2.ClH/c1-5-12(2)9-24-10-17(15-6-7-15)18(11-24)23-19(25)8-16-13(3)21-14(4)22-20(16)26;/h5,15,17-18H,6-11H2,1-4H3,(H,23,25)(H,21,22,26);1H/b12-5+;/t17-,18+;/m1./s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 154898309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).