N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride

C18H27ClN4O2 — CID 154897941

IUPACN-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)N[C@H]2CN(CC3CCC3)C[C@@H]2C2CC2)c(=O)[nH]1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-11-19-7-14(17(23)20-11)18(24)21-16-10-22(8-12-3-2-4-12)9-15(16)13-5-6-13;/h7,12-13,15-16H,2-6,8-10H2,1H3,(H,21,24)(H,19,20,23);1H/t15-,16+;/m1./s1
InChIKeyWNJJRLWOBHJXJL-RCPFAERMSA-N
MW366.89 g/mol
LogP1.74
Rot. Bonds5

About N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride

N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 154897941) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID154897941
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)N[C@H]2CN(CC3CCC3)C[C@@H]2C2CC2)c(=O)[nH]1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-11-19-7-14(17(23)20-11)18(24)21-16-10-22(8-12-3-2-4-12)9-15(16)13-5-6-13;/h7,12-13,15-16H,2-6,8-10H2,1H3,(H,21,24)(H,19,20,23);1H/t15-,16+;/m1./s1
InChIKeyWNJJRLWOBHJXJL-RCPFAERMSA-N
XLogP1.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 156604629
(3S,4S)-4-cyclopropyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72838996
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 72901743
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053
2-methyl-5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56878773
2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97436873
N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 133123800
N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 133120733
2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
CID 110848195
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 91776864
N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 133113683
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 154897935

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride (CID 154897941) is N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride is Cc1ncc(C(=O)N[C@H]2CN(CC3CCC3)C[C@@H]2C2CC2)c(=O)[nH]1.Cl.
What is the InChIKey of N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is WNJJRLWOBHJXJL-RCPFAERMSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-11-19-7-14(17(23)20-11)18(24)21-16-10-22(8-12-3-2-4-12)9-15(16)13-5-6-13;/h7,12-13,15-16H,2-6,8-10H2,1H3,(H,21,24)(H,19,20,23);1H/t15-,16+;/m1./s1.
What are the key properties of N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.74, 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-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 154897941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).