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

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Related Compounds

2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112884385
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 146128905
4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171996700
4-N,4-N-dimethyl-2-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881783
[5-chloro-6-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10252084
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112899961
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
CID 23026609
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171996730
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171995992
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725

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).