5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine

C12H11ClN6 — CID 166380400

IUPAC5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc3[nH]ncc3c2)ncc1Cl
InChIInChI=1S/C12H11ClN6/c1-14-11-9(13)6-15-12(18-11)17-8-2-3-10-7(4-8)5-16-19-10/h2-6H,1H3,(H,16,19)(H2,14,15,17,18)
InChIKeyHERLUFQNRFDANK-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine

5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 166380400) has the molecular formula C12H11ClN6 and a molecular weight of 274.72 g/mol. Its IUPAC name is 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID166380400
Molecular FormulaC12H11ClN6
Molecular Weight274.72 g/mol
Exact Mass274.07
IUPAC Name5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc3[nH]ncc3c2)ncc1Cl
InChIInChI=1S/C12H11ClN6/c1-14-11-9(13)6-15-12(18-11)17-8-2-3-10-7(4-8)5-16-19-10/h2-6H,1H3,(H,16,19)(H2,14,15,17,18)
InChIKeyHERLUFQNRFDANK-UHFFFAOYSA-N
XLogP2.79
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 121301806
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677690
4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
CID 67277592
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine
CID 21077439
2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 145164677
2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
CID 170994334
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 133416322
N-[3-[[2-(1H-indazol-5-ylamino)-5-iodopyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 147749159

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine (CID 166380400) is 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine is CNc1nc(Nc2ccc3[nH]ncc3c2)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is HERLUFQNRFDANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c1-14-11-9(13)6-15-12(18-11)17-8-2-3-10-7(4-8)5-16-19-10/h2-6H,1H3,(H,16,19)(H2,14,15,17,18).
What are the key properties of 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine?
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 274.72 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 166380400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).