4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol

C13H21N3O — CID 61241701

IUPAC4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCC(C)c1cc(NC2CCC(O)CC2)ncn1
InChIInChI=1S/C13H21N3O/c1-9(2)12-7-13(15-8-14-12)16-10-3-5-11(17)6-4-10/h7-11,17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFNWJMLDINQSMPL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds3

About 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 61241701) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID61241701
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCC(C)c1cc(NC2CCC(O)CC2)ncn1
InChIInChI=1S/C13H21N3O/c1-9(2)12-7-13(15-8-14-12)16-10-3-5-11(17)6-4-10/h7-11,17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFNWJMLDINQSMPL-UHFFFAOYSA-N
XLogP2.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 61241701) is 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is CC(C)c1cc(NC2CCC(O)CC2)ncn1.
What is the InChIKey of 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is FNWJMLDINQSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)12-7-13(15-8-14-12)16-10-3-5-11(17)6-4-10/h7-11,17H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 61241701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).