4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C17H18N4O2 — CID 24960636

IUPAC4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3noc4ccccc34)n2)CC1
InChIInChI=1S/C17H18N4O2/c22-12-7-5-11(6-8-12)19-17-18-10-9-14(20-17)16-13-3-1-2-4-15(13)23-21-16/h1-4,9-12,22H,5-8H2,(H,18,19,20)
InChIKeyLRBSEGDKIWXCAA-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.00
Rot. Bonds3

About 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 24960636) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID24960636
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3noc4ccccc34)n2)CC1
InChIInChI=1S/C17H18N4O2/c22-12-7-5-11(6-8-12)19-17-18-10-9-14(20-17)16-13-3-1-2-4-15(13)23-21-16/h1-4,9-12,22H,5-8H2,(H,18,19,20)
InChIKeyLRBSEGDKIWXCAA-UHFFFAOYSA-N
XLogP3.00
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-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
N-cyclopropyl-4-(3-methylpyrazin-2-yl)pyrimidin-2-amine
CID 114080483
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
N-[4-[[4-[7-(3-methylsulfonylpropoxy)-1,2-benzoxazol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 59743371
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-[[4-[7-(3-methylsulfonylpropoxy)-1,2-benzoxazol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
CID 59743383
methyl 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indole-3-carboxylate
CID 24959893
1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
CID 59593244
4-[(4-indazol-2-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 69309766
3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
CID 150471195
4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46896572
4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80932479

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 24960636) is 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-c3noc4ccccc34)n2)CC1.
What is the InChIKey of 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is LRBSEGDKIWXCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-12-7-5-11(6-8-12)19-17-18-10-9-14(20-17)16-13-3-1-2-4-15(13)23-21-16/h1-4,9-12,22H,5-8H2,(H,18,19,20).
What are the key properties of 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 310.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 24960636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).