4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol

C19H24FN5O — CID 123790584

IUPAC4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol
SMILESCCCCNc1ncc(-c2ccc(F)cn2)c(N=C2CCC(O)CC2)n1
InChIInChI=1S/C19H24FN5O/c1-2-3-10-21-19-23-12-16(17-9-4-13(20)11-22-17)18(25-19)24-14-5-7-15(26)8-6-14/h4,9,11-12,15,26H,2-3,5-8,10H2,1H3,(H,21,23,25)/b24-14-
InChIKeyPCEQSNRCUACAIR-OYKKKHCWSA-N
MW357.43 g/mol
LogP3.90
Rot. Bonds6

About 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol

4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol (PubChem CID 123790584) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol
PubChem CID123790584
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol
SMILESCCCCNc1ncc(-c2ccc(F)cn2)c(N=C2CCC(O)CC2)n1
InChIInChI=1S/C19H24FN5O/c1-2-3-10-21-19-23-12-16(17-9-4-13(20)11-22-17)18(25-19)24-14-5-7-15(26)8-6-14/h4,9,11-12,15,26H,2-3,5-8,10H2,1H3,(H,21,23,25)/b24-14-
InChIKeyPCEQSNRCUACAIR-OYKKKHCWSA-N
XLogP3.90
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol
CID 123295770
4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439784
4-[[5-[5-(aminomethyl)-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 129131936
4-[[2-(butylamino)-5-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439848
4-[[[5-[5-[(benzylamino)methyl]-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 123148798
4-[[5-(2-aminopyrimidin-4-yl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439924
4-[[2-(butylamino)-5-[5-[[(3S)-3-propan-2-ylpyrrolidin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439921
N-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 123729962
3-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]propan-1-ol
CID 144944295
2-N-butyl-5-[5-[(tert-butylamino)methyl]-2-pyridinyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 123494543
2-N-butyl-4-N-cyclohexyl-5-(5-heptan-4-yl-2-pyridinyl)pyrimidine-2,4-diamine;ethane
CID 144944196
N-butyl-5-(4-fluorophenyl)-7-(4-nitrosocyclohexyl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 123923344

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol?
The IUPAC name of 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol (CID 123790584) is 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol.
What is the SMILES notation for 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol?
The canonical SMILES for 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol is CCCCNc1ncc(-c2ccc(F)cn2)c(N=C2CCC(O)CC2)n1.
What is the InChIKey of 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol?
The InChIKey is PCEQSNRCUACAIR-OYKKKHCWSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-2-3-10-21-19-23-12-16(17-9-4-13(20)11-22-17)18(25-19)24-14-5-7-15(26)8-6-14/h4,9,11-12,15,26H,2-3,5-8,10H2,1H3,(H,21,23,25)/b24-14-.
What are the key properties of 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol?
4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol has a molecular weight of 357.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol is sourced from PubChem (CID 123790584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).