N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine

C18H18N4O2 — CID 3233590

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(CNc2ncncc2-c2cccnc2)c(OC)c1
InChIInChI=1S/C18H18N4O2/c1-23-15-6-5-14(17(8-15)24-2)10-21-18-16(11-20-12-22-18)13-4-3-7-19-9-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22)
InChIKeyDSQSUESMEABUJT-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.17
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3233590) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine
PubChem CID3233590
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(CNc2ncncc2-c2cccnc2)c(OC)c1
InChIInChI=1S/C18H18N4O2/c1-23-15-6-5-14(17(8-15)24-2)10-21-18-16(11-20-12-22-18)13-4-3-7-19-9-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22)
InChIKeyDSQSUESMEABUJT-UHFFFAOYSA-N
XLogP3.17
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine (CID 3233590) is N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine is COc1ccc(CNc2ncncc2-c2cccnc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is DSQSUESMEABUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-15-6-5-14(17(8-15)24-2)10-21-18-16(11-20-12-22-18)13-4-3-7-19-9-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 322.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3233590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).