2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol

C17H29N5O — CID 133383721

IUPAC2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCN(C)c1ccnc(NC2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C17H29N5O/c1-21(2)16-7-10-18-17(20-16)19-13-8-11-22(12-9-13)14-5-3-4-6-15(14)23/h7,10,13-15,23H,3-6,8-9,11-12H2,1-2H3,(H,18,19,20)
InChIKeySQYYLAMACTVLFV-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.72
Rot. Bonds4

About 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133383721) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID133383721
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCN(C)c1ccnc(NC2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C17H29N5O/c1-21(2)16-7-10-18-17(20-16)19-13-8-11-22(12-9-13)14-5-3-4-6-15(14)23/h7,10,13-15,23H,3-6,8-9,11-12H2,1-2H3,(H,18,19,20)
InChIKeySQYYLAMACTVLFV-UHFFFAOYSA-N
XLogP1.72
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol (CID 133383721) is 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol is CN(C)c1ccnc(NC2CCN(C3CCCCC3O)CC2)n1.
What is the InChIKey of 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is SQYYLAMACTVLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-21(2)16-7-10-18-17(20-16)19-13-8-11-22(12-9-13)14-5-3-4-6-15(14)23/h7,10,13-15,23H,3-6,8-9,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133383721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).