6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine

C13H16N4O — CID 50962032

IUPAC6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(N(C)Cc2ccncc2C)ncn1
InChIInChI=1S/C13H16N4O/c1-10-7-14-5-4-11(10)8-17(2)12-6-13(18-3)16-9-15-12/h4-7,9H,8H2,1-3H3
InChIKeySSIZSBAGNUQMTE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.83
Rot. Bonds4

About 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine

6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 50962032) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID50962032
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(N(C)Cc2ccncc2C)ncn1
InChIInChI=1S/C13H16N4O/c1-10-7-14-5-4-11(10)8-17(2)12-6-13(18-3)16-9-15-12/h4-7,9H,8H2,1-3H3
InChIKeySSIZSBAGNUQMTE-UHFFFAOYSA-N
XLogP1.83
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-aminophenyl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 66318304
4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265529
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 28953742
N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 91633842
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 66317606
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 115147167
(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid
CID 97285710
2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
CID 83831209
6-methoxy-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrimidin-4-amine
CID 95147920
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine (CID 50962032) is 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine is COc1cc(N(C)Cc2ccncc2C)ncn1.
What is the InChIKey of 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is SSIZSBAGNUQMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-7-14-5-4-11(10)8-17(2)12-6-13(18-3)16-9-15-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine?
6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50962032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).