1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol

C21H35N5O — CID 126891669

IUPAC1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCN(C)c1cc(N(C2CC2)C2CCN(CC3(O)CCCCC3)CC2)ncn1
InChIInChI=1S/C21H35N5O/c1-24(2)19-14-20(23-16-22-19)26(17-6-7-17)18-8-12-25(13-9-18)15-21(27)10-4-3-5-11-21/h14,16-18,27H,3-13,15H2,1-2H3
InChIKeyIQSNVRWQJKYCRC-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.67
Rot. Bonds6

About 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol

1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 126891669) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID126891669
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCN(C)c1cc(N(C2CC2)C2CCN(CC3(O)CCCCC3)CC2)ncn1
InChIInChI=1S/C21H35N5O/c1-24(2)19-14-20(23-16-22-19)26(17-6-7-17)18-8-12-25(13-9-18)15-21(27)10-4-3-5-11-21/h14,16-18,27H,3-13,15H2,1-2H3
InChIKeyIQSNVRWQJKYCRC-UHFFFAOYSA-N
XLogP2.67
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxyazepan-1-yl]ethanone
CID 126890732
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126890734
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891574
3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
CID 126889548
1-[[4-(dimethylamino)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 126856786
5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126891533
3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol
CID 126888700
2-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126891541
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 171996875
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891615
3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one
CID 126891599
[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126891440

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol (CID 126891669) is 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol is CN(C)c1cc(N(C2CC2)C2CCN(CC3(O)CCCCC3)CC2)ncn1.
What is the InChIKey of 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is IQSNVRWQJKYCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-24(2)19-14-20(23-16-22-19)26(17-6-7-17)18-8-12-25(13-9-18)15-21(27)10-4-3-5-11-21/h14,16-18,27H,3-13,15H2,1-2H3.
What are the key properties of 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 373.55 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 126891669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).