4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C19H28N6O — CID 118439784

IUPAC4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCNc1ncc(-c2ccc(N)cn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H28N6O/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/h4,9,11-12,14-15,26H,2-3,5-8,10,20H2,1H3,(H2,21,23,24,25)
InChIKeyNBBXQZAASIMPFD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.05
Rot. Bonds7

About 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 118439784) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID118439784
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCNc1ncc(-c2ccc(N)cn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H28N6O/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/h4,9,11-12,14-15,26H,2-3,5-8,10,20H2,1H3,(H2,21,23,24,25)
InChIKeyNBBXQZAASIMPFD-UHFFFAOYSA-N
XLogP3.05
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[5-[5-(aminomethyl)-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 129131936
4-[[5-(2-aminopyrimidin-4-yl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439924
4-[[2-(butylamino)-5-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439848
4-[[2-(butylamino)-5-[5-[[(3S)-3-propan-2-ylpyrrolidin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439921
3-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]propan-1-ol
CID 144944295
tert-butyl 4-[[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 118439946
2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 123945731
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-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 123729962
4-[[2-(butylamino)-5-[6-(cyclohex-2-en-4-yn-1-ylideneamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 123767866
4-[[2-[[(2S)-2-fluorobutyl]amino]-5-[5-(3-fluoropropyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170437551

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 118439784) is 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCCCNc1ncc(-c2ccc(N)cn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is NBBXQZAASIMPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/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/h4,9,11-12,14-15,26H,2-3,5-8,10,20H2,1H3,(H2,21,23,24,25).
What are the key properties of 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 356.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 118439784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).