4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine

C21H22N8O — CID 168859228

IUPAC4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine
SMILESCOc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)cccc1-c1cnn(C)c1
InChIInChI=1S/C21H22N8O/c1-13-8-20(26-14(2)25-13)28-19-9-18(22-12-23-19)27-17-7-5-6-16(21(17)30-4)15-10-24-29(3)11-15/h5-12H,1-4H3,(H2,22,23,25,26,27,28)
InChIKeyZPPBYFFCKXCVOJ-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.78
Rot. Bonds6

About 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine

4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine (PubChem CID 168859228) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine
PubChem CID168859228
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine
SMILESCOc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)cccc1-c1cnn(C)c1
InChIInChI=1S/C21H22N8O/c1-13-8-20(26-14(2)25-13)28-19-9-18(22-12-23-19)27-17-7-5-6-16(21(17)30-4)15-10-24-29(3)11-15/h5-12H,1-4H3,(H2,22,23,25,26,27,28)
InChIKeyZPPBYFFCKXCVOJ-UHFFFAOYSA-N
XLogP3.78
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 174997515
6-N-[3-[1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]-4-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine
CID 168859242
4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-[1-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]pyrimidine-4,6-diamine
CID 168859197
2-methoxy-3-(1-methylpyrazol-4-yl)benzenethiol
CID 171086483
2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxamide
CID 171626474
[4-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]pyrimidin-4-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 168859302
N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548649
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 163387500
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
2-methoxy-6-(1-methylpyrazol-4-yl)phenol
CID 83130518
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine (CID 168859228) is 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine is COc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)cccc1-c1cnn(C)c1.
What is the InChIKey of 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is ZPPBYFFCKXCVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-13-8-20(26-14(2)25-13)28-19-9-18(22-12-23-19)27-17-7-5-6-16(21(17)30-4)15-10-24-29(3)11-15/h5-12H,1-4H3,(H2,22,23,25,26,27,28).
What are the key properties of 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine?
4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 402.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 168859228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).