4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

C18H20N6O2 — CID 22542762

IUPAC4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(NCc3cccnc3)c2N)c(OC)c1
InChIInChI=1S/C18H20N6O2/c1-25-13-5-6-14(15(8-13)26-2)24-18-16(19)17(22-11-23-18)21-10-12-4-3-7-20-9-12/h3-9,11H,10,19H2,1-2H3,(H2,21,22,23,24)
InChIKeyRFVQURAZHHYRKQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.83
Rot. Bonds7

About 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine (PubChem CID 22542762) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
PubChem CID22542762
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(NCc3cccnc3)c2N)c(OC)c1
InChIInChI=1S/C18H20N6O2/c1-25-13-5-6-14(15(8-13)26-2)24-18-16(19)17(22-11-23-18)21-10-12-4-3-7-20-9-12/h3-9,11H,10,19H2,1-2H3,(H2,21,22,23,24)
InChIKeyRFVQURAZHHYRKQ-UHFFFAOYSA-N
XLogP2.83
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
4-N-(2-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142555
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542701
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
methyl 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 22542814
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
1-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 763140
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine (CID 22542762) is 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(NCc3cccnc3)c2N)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The InChIKey is RFVQURAZHHYRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-25-13-5-6-14(15(8-13)26-2)24-18-16(19)17(22-11-23-18)21-10-12-4-3-7-20-9-12/h3-9,11H,10,19H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine has a molecular weight of 352.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).