5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one

C18H18N4O — CID 170646769

IUPAC5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1cnc(N(C)C(c2ccccc2)c2ccccn2)[nH]c1=O
InChIInChI=1S/C18H18N4O/c1-13-12-20-18(21-17(13)23)22(2)16(14-8-4-3-5-9-14)15-10-6-7-11-19-15/h3-12,16H,1-2H3,(H,20,21,23)
InChIKeyBWBHMNOGBCXVCY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.70
Rot. Bonds4

About 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one

5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one (PubChem CID 170646769) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one
PubChem CID170646769
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1cnc(N(C)C(c2ccccc2)c2ccccn2)[nH]c1=O
InChIInChI=1S/C18H18N4O/c1-13-12-20-18(21-17(13)23)22(2)16(14-8-4-3-5-9-14)15-10-6-7-11-19-15/h3-12,16H,1-2H3,(H,20,21,23)
InChIKeyBWBHMNOGBCXVCY-UHFFFAOYSA-N
XLogP2.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one (CID 170646769) is 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one is Cc1cnc(N(C)C(c2ccccc2)c2ccccn2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one?
The InChIKey is BWBHMNOGBCXVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-12-20-18(21-17(13)23)22(2)16(14-8-4-3-5-9-14)15-10-6-7-11-19-15/h3-12,16H,1-2H3,(H,20,21,23).
What are the key properties of 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one?
5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one has a molecular weight of 306.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 170646769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).