4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

C17H19N5O — CID 69309766

IUPAC4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-n3cc4ccccc4n3)n2)CC1
InChIInChI=1S/C17H19N5O/c23-14-7-5-13(6-8-14)19-17-18-10-9-16(20-17)22-11-12-3-1-2-4-15(12)21-22/h1-4,9-11,13-14,23H,5-8H2,(H,18,19,20)
InChIKeyLTRYCASQVXKWBE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds3

About 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 69309766) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID69309766
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-n3cc4ccccc4n3)n2)CC1
InChIInChI=1S/C17H19N5O/c23-14-7-5-13(6-8-14)19-17-18-10-9-16(20-17)22-11-12-3-1-2-4-15(12)21-22/h1-4,9-11,13-14,23H,5-8H2,(H,18,19,20)
InChIKeyLTRYCASQVXKWBE-UHFFFAOYSA-N
XLogP2.53
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one
CID 59743385
methyl 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indole-3-carboxylate
CID 24959893
4-N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 146244080
1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
CID 59593244
4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-one
CID 59718950
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112882393
4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743509
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
[1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indazol-4-yl] cyanate
CID 24812796
2-[[1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]methyl]isoindole-1,3-dione
CID 59743487
4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24960636
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 134707232

Frequently Asked Questions

What is the IUPAC name of 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (CID 69309766) is 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-n3cc4ccccc4n3)n2)CC1.
What is the InChIKey of 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is LTRYCASQVXKWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-14-7-5-13(6-8-14)19-17-18-10-9-16(20-17)22-11-12-3-1-2-4-15(12)21-22/h1-4,9-11,13-14,23H,5-8H2,(H,18,19,20).
What are the key properties of 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 69309766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).