4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine

C23H25N9 — CID 163404124

IUPAC4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
SMILESCc1cccc2c(Nc3ccnc(Nc4ccc(N5CCN(C)CC5)nc4)n3)cnnc12
InChIInChI=1S/C23H25N9/c1-16-4-3-5-18-19(15-26-30-22(16)18)28-20-8-9-24-23(29-20)27-17-6-7-21(25-14-17)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H2,24,27,28,29,30)
InChIKeyFMKKYYLOCNMGKX-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.36
Rot. Bonds5

About 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine

4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 163404124) has the molecular formula C23H25N9 and a molecular weight of 427.52 g/mol. Its IUPAC name is 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
PubChem CID163404124
Molecular FormulaC23H25N9
Molecular Weight427.52 g/mol
Exact Mass427.22
IUPAC Name4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
SMILESCc1cccc2c(Nc3ccnc(Nc4ccc(N5CCN(C)CC5)nc4)n3)cnnc12
InChIInChI=1S/C23H25N9/c1-16-4-3-5-18-19(15-26-30-22(16)18)28-20-8-9-24-23(29-20)27-17-6-7-21(25-14-17)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H2,24,27,28,29,30)
InChIKeyFMKKYYLOCNMGKX-UHFFFAOYSA-N
XLogP3.36
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 163404155
4-N-(3,4-dimethylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 162206883
azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 145468383
2-N-(2-methylphenyl)-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901856
4-N-(2,4-dimethylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112902457
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
4-N-(2,3-dimethylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902723
N-methyl-2-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]benzamide
CID 25122370
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
3-fluoro-N-[2-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 154060343
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 175733112

Frequently Asked Questions

What is the IUPAC name of 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine (CID 163404124) is 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine is Cc1cccc2c(Nc3ccnc(Nc4ccc(N5CCN(C)CC5)nc4)n3)cnnc12.
What is the InChIKey of 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The InChIKey is FMKKYYLOCNMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9/c1-16-4-3-5-18-19(15-26-30-22(16)18)28-20-8-9-24-23(29-20)27-17-6-7-21(25-14-17)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H2,24,27,28,29,30).
What are the key properties of 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 427.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 163404124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).