2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one

C13H17N5O2 — CID 138018794

IUPAC2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(C)cc(NCc2nc(C)cc(=O)[nH]2)n1
InChIInChI=1S/C13H17N5O2/c1-8-4-10(17-12(16-8)7-20-3)14-6-11-15-9(2)5-13(19)18-11/h4-5H,6-7H2,1-3H3,(H,14,16,17)(H,15,18,19)
InChIKeyBIJBLCUVQREQRH-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.94
Rot. Bonds5

About 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one

2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 138018794) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID138018794
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(C)cc(NCc2nc(C)cc(=O)[nH]2)n1
InChIInChI=1S/C13H17N5O2/c1-8-4-10(17-12(16-8)7-20-3)14-6-11-15-9(2)5-13(19)18-11/h4-5H,6-7H2,1-3H3,(H,14,16,17)(H,15,18,19)
InChIKeyBIJBLCUVQREQRH-UHFFFAOYSA-N
XLogP0.94
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one (CID 138018794) is 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one is COCc1nc(C)cc(NCc2nc(C)cc(=O)[nH]2)n1.
What is the InChIKey of 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BIJBLCUVQREQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-4-10(17-12(16-8)7-20-3)14-6-11-15-9(2)5-13(19)18-11/h4-5H,6-7H2,1-3H3,(H,14,16,17)(H,15,18,19).
What are the key properties of 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one?
2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 138018794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).