4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine

C23H25N7O — CID 16723099

IUPAC4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1Nc1cccc2[nH]ncc12
InChIInChI=1S/C23H25N7O/c1-15-13-25-23(29-22(15)28-20-3-2-4-21-19(20)14-26-30-21)27-16-5-7-17(8-6-16)31-18-9-11-24-12-10-18/h2-8,13-14,18,24H,9-12H2,1H3,(H,26,30)(H2,25,27,28,29)
InChIKeyUDCSFKCIBWPGFX-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.28
Rot. Bonds6

About 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine

4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 16723099) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID16723099
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1Nc1cccc2[nH]ncc12
InChIInChI=1S/C23H25N7O/c1-15-13-25-23(29-22(15)28-20-3-2-4-21-19(20)14-26-30-21)27-16-5-7-17(8-6-16)31-18-9-11-24-12-10-18/h2-8,13-14,18,24H,9-12H2,1H3,(H,26,30)(H2,25,27,28,29)
InChIKeyUDCSFKCIBWPGFX-UHFFFAOYSA-N
XLogP4.28
TPSA99.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 16722339
3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]-N-prop-1-en-2-ylbenzenesulfonamide
CID 89190601
4-[4-[[4-(3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylic acid
CID 66637738
5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 16722731
4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 159788390
N-cyclopropyl-1H-indazol-4-amine
CID 103439210
N-cycloheptyl-1H-indazol-4-amine
CID 54865782
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
3-[[5-methyl-2-[4-(2-pyrrolidin-2-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;hydrate;dihydrochloride
CID 173499962
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 59777611

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine (CID 16723099) is 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1Nc1cccc2[nH]ncc12.
What is the InChIKey of 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is UDCSFKCIBWPGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15-13-25-23(29-22(15)28-20-3-2-4-21-19(20)14-26-30-21)27-16-5-7-17(8-6-16)31-18-9-11-24-12-10-18/h2-8,13-14,18,24H,9-12H2,1H3,(H,26,30)(H2,25,27,28,29).
What are the key properties of 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine?
4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 415.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-4-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 16723099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).