6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

C12H14N4O — CID 66327251

IUPAC6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCOc1ncnc(NCc2ccncc2)c1C
InChIInChI=1S/C12H14N4O/c1-9-11(15-8-16-12(9)17-2)14-7-10-3-5-13-6-4-10/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyOWOAKDQBUCUGOX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.80
Rot. Bonds4

About 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 66327251) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID66327251
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCOc1ncnc(NCc2ccncc2)c1C
InChIInChI=1S/C12H14N4O/c1-9-11(15-8-16-12(9)17-2)14-7-10-3-5-13-6-4-10/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyOWOAKDQBUCUGOX-UHFFFAOYSA-N
XLogP1.80
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325637
N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332146
6-methoxy-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66327266
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
N-(1H-imidazol-2-ylmethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327904
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
6-methoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114127983
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 66327251) is 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is COc1ncnc(NCc2ccncc2)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is OWOAKDQBUCUGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-11(15-8-16-12(9)17-2)14-7-10-3-5-13-6-4-10/h3-6,8H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 230.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66327251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).