6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine

C18H19N5O3 — CID 117087940

IUPAC6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(Nc3cccnc3)ncn2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O3/c1-24-14-7-13(8-15(25-2)18(14)26-3)23-17-9-16(20-11-21-17)22-12-5-4-6-19-10-12/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyNJGAIBWJDOEYAL-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.38
Rot. Bonds7

About 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine

6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 117087940) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID117087940
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(Nc3cccnc3)ncn2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O3/c1-24-14-7-13(8-15(25-2)18(14)26-3)23-17-9-16(20-11-21-17)22-12-5-4-6-19-10-12/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyNJGAIBWJDOEYAL-UHFFFAOYSA-N
XLogP3.38
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112867113
2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
CID 117087762
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
CID 71447809
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
6-(azepan-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112864677
1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 71448683
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 61374133
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112861254
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
6-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
CID 122282498

Frequently Asked Questions

What is the IUPAC name of 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine (CID 117087940) is 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine is COc1cc(Nc2cc(Nc3cccnc3)ncn2)cc(OC)c1OC.
What is the InChIKey of 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is NJGAIBWJDOEYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-24-14-7-13(8-15(25-2)18(14)26-3)23-17-9-16(20-11-21-17)22-12-5-4-6-19-10-12/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 353.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 117087940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).