4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C14H24N4O — CID 72793604

IUPAC4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCNc1nccc(NC2CCC(O)CC2)n1
InChIInChI=1S/C14H24N4O/c1-2-3-9-15-14-16-10-8-13(18-14)17-11-4-6-12(19)7-5-11/h8,10-12,19H,2-7,9H2,1H3,(H2,15,16,17,18)
InChIKeyTWOVQCHDPBWOKT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.40
Rot. Bonds6

About 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793604) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793604
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCNc1nccc(NC2CCC(O)CC2)n1
InChIInChI=1S/C14H24N4O/c1-2-3-9-15-14-16-10-8-13(18-14)17-11-4-6-12(19)7-5-11/h8,10-12,19H,2-7,9H2,1H3,(H2,15,16,17,18)
InChIKeyTWOVQCHDPBWOKT-UHFFFAOYSA-N
XLogP2.40
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793604) is 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCCCNc1nccc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is TWOVQCHDPBWOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-3-9-15-14-16-10-8-13(18-14)17-11-4-6-12(19)7-5-11/h8,10-12,19H,2-7,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).