6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C18H22N6O3 — CID 117091979

IUPAC6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(C)nc(Nc3ccnn3C)n2)cc(OC)c1OC
InChIInChI=1S/C18H22N6O3/c1-11-8-15(22-18(20-11)23-16-6-7-19-24(16)2)21-12-9-13(25-3)17(27-5)14(10-12)26-4/h6-10H,1-5H3,(H2,20,21,22,23)
InChIKeyUSAZPWNGXDPWFI-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.03
Rot. Bonds7

About 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 117091979) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID117091979
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(C)nc(Nc3ccnn3C)n2)cc(OC)c1OC
InChIInChI=1S/C18H22N6O3/c1-11-8-15(22-18(20-11)23-16-6-7-19-24(16)2)21-12-9-13(25-3)17(27-5)14(10-12)26-4/h6-10H,1-5H3,(H2,20,21,22,23)
InChIKeyUSAZPWNGXDPWFI-UHFFFAOYSA-N
XLogP3.03
TPSA95.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112928352
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112928552
6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine
CID 117092491
4-N-tert-butyl-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112924723
2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112909948
6-methyl-2-N-pentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112925562
6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
CID 117094579
6-methyl-4-N-(pyridin-3-ylmethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112919540
6-methyl-4-N-(2-phenylethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112920142
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112912558

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 117091979) is 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2cc(C)nc(Nc3ccnn3C)n2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is USAZPWNGXDPWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-8-15(22-18(20-11)23-16-6-7-19-24(16)2)21-12-9-13(25-3)17(27-5)14(10-12)26-4/h6-10H,1-5H3,(H2,20,21,22,23).
What are the key properties of 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 370.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117091979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).