2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine

C21H21N5 — CID 25104267

IUPAC2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)c1
InChIInChI=1S/C21H21N5/c1-13-8-14(2)10-18(9-13)25-21-22-7-6-20(26-21)24-17-4-5-19-16(12-17)11-15(3)23-19/h4-12,23H,1-3H3,(H2,22,24,25,26)
InChIKeyURVQTXHIWYGIRH-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.37
Rot. Bonds4

About 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine

2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine (PubChem CID 25104267) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
PubChem CID25104267
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)c1
InChIInChI=1S/C21H21N5/c1-13-8-14(2)10-18(9-13)25-21-22-7-6-20(26-21)24-17-4-5-19-16(12-17)11-15(3)23-19/h4-12,23H,1-3H3,(H2,22,24,25,26)
InChIKeyURVQTXHIWYGIRH-UHFFFAOYSA-N
XLogP5.37
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate
CID 25104262
2-N-(1H-indol-4-yl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25103278
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(1-sulfanylpiperidin-4-yl)oxyphenyl]pyrimidine-2,4-diamine
CID 145496907
4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 66551304
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]pyrimidine-2,4-diamine
CID 145496898
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 145496884
2-N-(3,5-dimethylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902638
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 66548919
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine (CID 25104267) is 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is URVQTXHIWYGIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-13-8-14(2)10-18(9-13)25-21-22-7-6-20(26-21)24-17-4-5-19-16(12-17)11-15(3)23-19/h4-12,23H,1-3H3,(H2,22,24,25,26).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 343.43 g/mol, XLogP of 5.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25104267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).