[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol

C14H23N3O2 — CID 112637519

IUPAC[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCCCOc1ccnc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-2-10-19-12-6-9-15-13(16-12)17-14(11-18)7-4-3-5-8-14/h6,9,18H,2-5,7-8,10-11H2,1H3,(H,15,16,17)
InChIKeyKFSVAUSNFZSVBX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.37
Rot. Bonds6

About [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol

[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol (PubChem CID 112637519) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
PubChem CID112637519
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCCCOc1ccnc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-2-10-19-12-6-9-15-13(16-12)17-14(11-18)7-4-3-5-8-14/h6,9,18H,2-5,7-8,10-11H2,1H3,(H,15,16,17)
InChIKeyKFSVAUSNFZSVBX-UHFFFAOYSA-N
XLogP2.37
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(chloromethyl)cyclopentyl]-4-ethoxypyrimidin-2-amine
CID 112639280
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230
[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80833509
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177
[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 115974965
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638214
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975138
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641

Frequently Asked Questions

What is the IUPAC name of [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol (CID 112637519) is [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol is CCCOc1ccnc(NC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is KFSVAUSNFZSVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-10-19-12-6-9-15-13(16-12)17-14(11-18)7-4-3-5-8-14/h6,9,18H,2-5,7-8,10-11H2,1H3,(H,15,16,17).
What are the key properties of [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol?
[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 265.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 112637519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).