N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C16H23N3O4 — CID 91762751

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ncc(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O4/c1-10-17-7-12(16(21)18-10)6-15(20)19-13-9-22-5-4-14(13)23-8-11-2-3-11/h7,11,13-14H,2-6,8-9H2,1H3,(H,19,20)(H,17,18,21)/t13-,14+/m1/s1
InChIKeyFHMGURUGZSHXMG-KGLIPLIRSA-N
MW321.38 g/mol
LogP0.32
Rot. Bonds6

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91762751) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91762751
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ncc(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O4/c1-10-17-7-12(16(21)18-10)6-15(20)19-13-9-22-5-4-14(13)23-8-11-2-3-11/h7,11,13-14H,2-6,8-9H2,1H3,(H,19,20)(H,17,18,21)/t13-,14+/m1/s1
InChIKeyFHMGURUGZSHXMG-KGLIPLIRSA-N
XLogP0.32
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.32
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]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 91762751) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1ncc(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c(=O)[nH]1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is FHMGURUGZSHXMG-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-10-17-7-12(16(21)18-10)6-15(20)19-13-9-22-5-4-14(13)23-8-11-2-3-11/h7,11,13-14H,2-6,8-9H2,1H3,(H,19,20)(H,17,18,21)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 0.32, 6 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]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91762751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).