5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one

C15H17N3O2 — CID 135418960

IUPAC5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1
InChIInChI=1S/C15H17N3O2/c1-20-9-13-11(8-10-5-6-10)15(19)18-14(17-13)12-4-2-3-7-16-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,17,18,19)
InChIKeyQKNRPVGJMNRMRD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.93
Rot. Bonds5

About 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one

5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135418960) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135418960
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1
InChIInChI=1S/C15H17N3O2/c1-20-9-13-11(8-10-5-6-10)15(19)18-14(17-13)12-4-2-3-7-16-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,17,18,19)
InChIKeyQKNRPVGJMNRMRD-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135418960) is 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one is COCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is QKNRPVGJMNRMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-9-13-11(8-10-5-6-10)15(19)18-14(17-13)12-4-2-3-7-16-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,17,18,19).
What are the key properties of 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 271.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).