N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide

C17H19N3O3 — CID 174243972

IUPACN-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide
SMILESO=C(Nc1cc(O[C@H]2CC[C@@H](CO)C2)ncn1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c21-10-12-6-7-14(8-12)23-16-9-15(18-11-19-16)20-17(22)13-4-2-1-3-5-13/h1-5,9,11-12,14,21H,6-8,10H2,(H,18,19,20,22)/t12-,14+/m1/s1
InChIKeyLOLZZNJTSPHVJL-OCCSQVGLSA-N
MW313.36 g/mol
LogP2.27
Rot. Bonds5

About N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide

N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide (PubChem CID 174243972) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide
PubChem CID174243972
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide
SMILESO=C(Nc1cc(O[C@H]2CC[C@@H](CO)C2)ncn1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c21-10-12-6-7-14(8-12)23-16-9-15(18-11-19-16)20-17(22)13-4-2-1-3-5-13/h1-5,9,11-12,14,21H,6-8,10H2,(H,18,19,20,22)/t12-,14+/m1/s1
InChIKeyLOLZZNJTSPHVJL-OCCSQVGLSA-N
XLogP2.27
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide?
The IUPAC name of N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide (CID 174243972) is N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide?
The canonical SMILES for N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide is O=C(Nc1cc(O[C@H]2CC[C@@H](CO)C2)ncn1)c1ccccc1.
What is the InChIKey of N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide?
The InChIKey is LOLZZNJTSPHVJL-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-10-12-6-7-14(8-12)23-16-9-15(18-11-19-16)20-17(22)13-4-2-1-3-5-13/h1-5,9,11-12,14,21H,6-8,10H2,(H,18,19,20,22)/t12-,14+/m1/s1.
What are the key properties of N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide?
N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide is sourced from PubChem (CID 174243972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).