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

C20H29N5O — CID 72793105

IUPAC4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H29N5O/c1-2-3-5-13-22-20-23-14-17(18-7-4-6-12-21-18)19(25-20)24-15-8-10-16(26)11-9-15/h4,6-7,12,14-16,26H,2-3,5,8-11,13H2,1H3,(H2,22,23,24,25)
InChIKeyDBWBCGYTGWUQRF-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.86
Rot. Bonds8

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

4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793105) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793105
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H29N5O/c1-2-3-5-13-22-20-23-14-17(18-7-4-6-12-21-18)19(25-20)24-15-8-10-16(26)11-9-15/h4,6-7,12,14-16,26H,2-3,5,8-11,13H2,1H3,(H2,22,23,24,25)
InChIKeyDBWBCGYTGWUQRF-UHFFFAOYSA-N
XLogP3.86
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793105) is 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is CCCCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is DBWBCGYTGWUQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-2-3-5-13-22-20-23-14-17(18-7-4-6-12-21-18)19(25-20)24-15-8-10-16(26)11-9-15/h4,6-7,12,14-16,26H,2-3,5,8-11,13H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 355.49 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).