N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride

C19H29ClN4O2 — CID 154899226

IUPACN-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cnc[nH]c1=O)N[C@H]1CN(C2CCCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C19H28N4O2.ClH/c24-18(8-14-9-20-12-21-19(14)25)22-17-11-23(10-16(17)13-6-7-13)15-4-2-1-3-5-15;/h9,12-13,15-17H,1-8,10-11H2,(H,22,24)(H,20,21,25);1H/t16-,17+;/m1./s1
InChIKeyPZQITYHTRCKRRW-PPPUBMIESA-N
MW380.92 g/mol
LogP1.89
Rot. Bonds5

About N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride

N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride (PubChem CID 154899226) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride
PubChem CID154899226
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC NameN-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cnc[nH]c1=O)N[C@H]1CN(C2CCCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C19H28N4O2.ClH/c24-18(8-14-9-20-12-21-19(14)25)22-17-11-23(10-16(17)13-6-7-13)15-4-2-1-3-5-15;/h9,12-13,15-17H,1-8,10-11H2,(H,22,24)(H,20,21,25);1H/t16-,17+;/m1./s1
InChIKeyPZQITYHTRCKRRW-PPPUBMIESA-N
XLogP1.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[rel-(3R,4S)-1-cyclohexyl-4-cyclopropyl-3-pyrrolidinyl]-2-(6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide hydrochloride
CID 72930154
N-[(3R*,4S*)-4-cyclopropyl-1-(3-methoxypropyl)-3-pyrrolidinyl]-2-(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide
CID 133121399
N-[(3R*,4S*)-1-cyclohexyl-4-cyclopropyl-3-pyrrolidinyl]-2-(6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide
CID 133129025
5-[2-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 133134147
N-[(3R,4S)-4-cyclopropyl-1-(3-methoxypropyl)pyrrolidin-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride
CID 154899258

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride (CID 154899226) is N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride is Cl.O=C(Cc1cnc[nH]c1=O)N[C@H]1CN(C2CCCCC2)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride?
The InChIKey is PZQITYHTRCKRRW-PPPUBMIESA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c24-18(8-14-9-20-12-21-19(14)25)22-17-11-23(10-16(17)13-6-7-13)15-4-2-1-3-5-15;/h9,12-13,15-17H,1-8,10-11H2,(H,22,24)(H,20,21,25);1H/t16-,17+;/m1./s1.
What are the key properties of N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride?
N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-2-(6-oxo-1H-pyrimidin-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 154899226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).