2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine

C12H15N5O — CID 138019222

IUPAC2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1nc(C)cc(N(C)Cc2ncccn2)n1
InChIInChI=1S/C12H15N5O/c1-9-7-11(16-12(15-9)18-3)17(2)8-10-13-5-4-6-14-10/h4-7H,8H2,1-3H3
InChIKeyQJBPAZLXYXNXFB-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.22
Rot. Bonds4

About 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine

2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 138019222) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine
PubChem CID138019222
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1nc(C)cc(N(C)Cc2ncccn2)n1
InChIInChI=1S/C12H15N5O/c1-9-7-11(16-12(15-9)18-3)17(2)8-10-13-5-4-6-14-10/h4-7H,8H2,1-3H3
InChIKeyQJBPAZLXYXNXFB-UHFFFAOYSA-N
XLogP1.22
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 122052125
3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 138008438
N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine
CID 82601677
2-(methoxymethyl)-N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 126823286
3-N-methyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 62698436
3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide
CID 77407750
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine
CID 62699938
2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66288193
2-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 62481777
3-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-methylamino]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 138008450

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine (CID 138019222) is 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine is COc1nc(C)cc(N(C)Cc2ncccn2)n1.
What is the InChIKey of 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QJBPAZLXYXNXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-7-11(16-12(15-9)18-3)17(2)8-10-13-5-4-6-14-10/h4-7H,8H2,1-3H3.
What are the key properties of 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine?
2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 138019222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).