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

C20H30N4O2 — CID 171138303

IUPACN-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC=C(C)CN1C[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](C2CC2)C1
InChIInChI=1S/C20H30N4O2/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)/t17-,18+/m1/s1
InChIKeyDPWXYKSTFFOOOH-MSOLQXFVSA-N
MW358.49 g/mol
LogP1.72
Rot. Bonds6

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

N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 171138303) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID171138303
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC=C(C)CN1C[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](C2CC2)C1
InChIInChI=1S/C20H30N4O2/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)/t17-,18+/m1/s1
InChIKeyDPWXYKSTFFOOOH-MSOLQXFVSA-N
XLogP1.72
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide
CID 136100652
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 171138303) is N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CC=C(C)CN1C[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is DPWXYKSTFFOOOH-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H30N4O2/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)/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[(3R,4S)-4-cyclopropyl-1-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 1.72, 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-(2-methylbut-2-enyl)pyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 171138303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).