2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine

C22H23N7O2 — CID 71225028

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3c(C)c(C)nn3-c3cccnc3)n2)cc1OC
InChIInChI=1S/C22H23N7O2/c1-14-15(2)28-29(17-6-5-10-23-13-17)21(14)26-20-9-11-24-22(27-20)25-16-7-8-18(30-3)19(12-16)31-4/h5-13H,1-4H3,(H2,24,25,26,27)
InChIKeyRLALTMLAZWMINQ-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.18
Rot. Bonds7

About 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine

2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 71225028) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID71225028
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3c(C)c(C)nn3-c3cccnc3)n2)cc1OC
InChIInChI=1S/C22H23N7O2/c1-14-15(2)28-29(17-6-5-10-23-13-17)21(14)26-20-9-11-24-22(27-20)25-16-7-8-18(30-3)19(12-16)31-4/h5-13H,1-4H3,(H2,24,25,26,27)
InChIKeyRLALTMLAZWMINQ-UHFFFAOYSA-N
XLogP4.18
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine
CID 53476086
2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine
CID 71232363
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(6-methoxy-3-pyridinyl)-4,5-dimethylpyrazol-3-yl]pyrimidin-4-amine
CID 159094449
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
2-N-(3,4-dimethoxyphenyl)-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 53476776
4-N-[4,5-dimethyl-2-[2-(methylamino)ethyl]pyrazol-3-yl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 71232375
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112897214
2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
CID 71224603
N-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896527
amino-[5-chloro-3-[[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]methanol
CID 176696504

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 71225028) is 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine is COc1ccc(Nc2nccc(Nc3c(C)c(C)nn3-c3cccnc3)n2)cc1OC.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is RLALTMLAZWMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-14-15(2)28-29(17-6-5-10-23-13-17)21(14)26-20-9-11-24-22(27-20)25-16-7-8-18(30-3)19(12-16)31-4/h5-13H,1-4H3,(H2,24,25,26,27).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 417.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71225028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).