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

C18H25N5O — CID 72793048

IUPAC4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C18H25N5O/c1-2-10-20-18-21-12-15(16-5-3-4-11-19-16)17(23-18)22-13-6-8-14(24)9-7-13/h3-5,11-14,24H,2,6-10H2,1H3,(H2,20,21,22,23)
InChIKeyIPLZGPIOLOENJW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds6

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

4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793048) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793048
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C18H25N5O/c1-2-10-20-18-21-12-15(16-5-3-4-11-19-16)17(23-18)22-13-6-8-14(24)9-7-13/h3-5,11-14,24H,2,6-10H2,1H3,(H2,20,21,22,23)
InChIKeyIPLZGPIOLOENJW-UHFFFAOYSA-N
XLogP3.08
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793048) is 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is CCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is IPLZGPIOLOENJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-10-20-18-21-12-15(16-5-3-4-11-19-16)17(23-18)22-13-6-8-14(24)9-7-13/h3-5,11-14,24H,2,6-10H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 327.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).