4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

C21H29N5O — CID 72793109

IUPAC4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NC3CCCCC3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C21H29N5O/c27-17-11-9-16(10-12-17)24-20-18(19-8-4-5-13-22-19)14-23-21(26-20)25-15-6-2-1-3-7-15/h4-5,8,13-17,27H,1-3,6-7,9-12H2,(H2,23,24,25,26)
InChIKeyYYCBPQHVOAJHLZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.00
Rot. Bonds5

About 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793109) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793109
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NC3CCCCC3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C21H29N5O/c27-17-11-9-16(10-12-17)24-20-18(19-8-4-5-13-22-19)14-23-21(26-20)25-15-6-2-1-3-7-15/h4-5,8,13-17,27H,1-3,6-7,9-12H2,(H2,23,24,25,26)
InChIKeyYYCBPQHVOAJHLZ-UHFFFAOYSA-N
XLogP4.00
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793109) is 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(NC3CCCCC3)ncc2-c2ccccn2)CC1.
What is the InChIKey of 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is YYCBPQHVOAJHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c27-17-11-9-16(10-12-17)24-20-18(19-8-4-5-13-22-19)14-23-21(26-20)25-15-6-2-1-3-7-15/h4-5,8,13-17,27H,1-3,6-7,9-12H2,(H2,23,24,25,26).
What are the key properties of 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 367.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).