N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C18H27N3O4 — CID 91771217

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)nc(=O)[nH]1
InChIInChI=1S/C18H27N3O4/c1-11(2)7-13-8-14(21-18(23)19-13)17(22)20-15-10-24-6-5-16(15)25-9-12-3-4-12/h8,11-12,15-16H,3-7,9-10H2,1-2H3,(H,20,22)(H,19,21,23)/t15-,16+/m1/s1
InChIKeyUUUQJIFSTWHNHD-CVEARBPZSA-N
MW349.43 g/mol
LogP1.28
Rot. Bonds7

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 91771217) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID91771217
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)nc(=O)[nH]1
InChIInChI=1S/C18H27N3O4/c1-11(2)7-13-8-14(21-18(23)19-13)17(22)20-15-10-24-6-5-16(15)25-9-12-3-4-12/h8,11-12,15-16H,3-7,9-10H2,1-2H3,(H,20,22)(H,19,21,23)/t15-,16+/m1/s1
InChIKeyUUUQJIFSTWHNHD-CVEARBPZSA-N
XLogP1.28
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 91771217) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)nc(=O)[nH]1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is UUUQJIFSTWHNHD-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11(2)7-13-8-14(21-18(23)19-13)17(22)20-15-10-24-6-5-16(15)25-9-12-3-4-12/h8,11-12,15-16H,3-7,9-10H2,1-2H3,(H,20,22)(H,19,21,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 91771217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).