2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C18H26N4O3 — CID 86283656

IUPAC2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CN(CCCO)C[C@@H]1C1CC1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C18H26N4O3/c23-7-1-6-22-9-14(11-2-3-11)15(10-22)20-17(24)13-8-19-16(12-4-5-12)21-18(13)25/h8,11-12,14-15,23H,1-7,9-10H2,(H,20,24)(H,19,21,25)/t14-,15+/m1/s1
InChIKeyNDSDMEXLSRKDPL-CABCVRRESA-N
MW346.43 g/mol
LogP0.47
Rot. Bonds7

About 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 86283656) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID86283656
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CN(CCCO)C[C@@H]1C1CC1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C18H26N4O3/c23-7-1-6-22-9-14(11-2-3-11)15(10-22)20-17(24)13-8-19-16(12-4-5-12)21-18(13)25/h8,11-12,14-15,23H,1-7,9-10H2,(H,20,24)(H,19,21,25)/t14-,15+/m1/s1
InChIKeyNDSDMEXLSRKDPL-CABCVRRESA-N
XLogP0.47
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

5-{[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]carbonyl}-2-cyclopropyl-4(3H)-pyrimidinone
CID 72863330
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72865959
5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 133130457
N-[(3R*,4S*)-1-(cyclobutylmethyl)-4-cyclopropyl-3-pyrrolidinyl]-2-methyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133132961
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897941
2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154899535
5-(3-amino-4-cyclopropylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 156603571

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 86283656) is 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(N[C@H]1CN(CCCO)C[C@@H]1C1CC1)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NDSDMEXLSRKDPL-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N4O3/c23-7-1-6-22-9-14(11-2-3-11)15(10-22)20-17(24)13-8-19-16(12-4-5-12)21-18(13)25/h8,11-12,14-15,23H,1-7,9-10H2,(H,20,24)(H,19,21,25)/t14-,15+/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 86283656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).