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

C18H26N4O2 — CID 72865959

IUPACN-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CN(CC3CCC3)C[C@@H]2C2CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O2/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)/t15-,16+/m1/s1
InChIKeyYCTBJOFEHRIMCP-CVEARBPZSA-N
MW330.43 g/mol
LogP1.32
Rot. Bonds5

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

N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72865959) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72865959
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CN(CC3CCC3)C[C@@H]2C2CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O2/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)/t15-,16+/m1/s1
InChIKeyYCTBJOFEHRIMCP-CVEARBPZSA-N
XLogP1.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide 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}cyclobutanecarboxamide
CID 136264115
5-{[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]carbonyl}-2-cyclopropyl-4(3H)-pyrimidinone
CID 72863330
N-[rel-(3R,4S)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72864856
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
2-methyl-6-oxo-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72889272
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
2-cyclopropyl-N-[rel-(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 86283656
2-methyl-6-oxo-N-[(3R*,4S*)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,6-dihydro-5-pyrimidinecarboxamide
CID 133112385
N-[(3R*,4S*)-4-cyclopropyl-1-(3-methoxypropyl)-3-pyrrolidinyl]-2-(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide
CID 133121399
5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 133130457
N-[(3R*,4S*)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133130865
N-[(3R*,4S*)-1-(cyclobutylmethyl)-4-cyclopropyl-3-pyrrolidinyl]-2-methyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133132961

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?
The IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72865959) is N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@H]2CN(CC3CCC3)C[C@@H]2C2CC2)c(=O)[nH]1.
What is the InChIKey of N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YCTBJOFEHRIMCP-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N4O2/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)/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?
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.32, 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 is sourced from PubChem (CID 72865959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).