2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C16H28N4O — CID 80800343

IUPAC2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1ncnc(NC2CCCCC2O)c1CCC
InChIInChI=1S/C16H28N4O/c1-3-7-12-15(17-10-4-2)18-11-19-16(12)20-13-8-5-6-9-14(13)21/h11,13-14,21H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyYFRJWYJEWMIQLE-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.97
Rot. Bonds7

About 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80800343) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80800343
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1ncnc(NC2CCCCC2O)c1CCC
InChIInChI=1S/C16H28N4O/c1-3-7-12-15(17-10-4-2)18-11-19-16(12)20-13-8-5-6-9-14(13)21/h11,13-14,21H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyYFRJWYJEWMIQLE-UHFFFAOYSA-N
XLogP2.97
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097
2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632953
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368118
5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830803
6-hydrazinyl-N-(2-methylcyclohexyl)-5-propylpyrimidin-4-amine
CID 80944639
[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457178
4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80853652
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758

Frequently Asked Questions

What is the IUPAC name of 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80800343) is 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCCNc1ncnc(NC2CCCCC2O)c1CCC.
What is the InChIKey of 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is YFRJWYJEWMIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-7-12-15(17-10-4-2)18-11-19-16(12)20-13-8-5-6-9-14(13)21/h11,13-14,21H,3-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80800343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).