2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol

C16H25N3O2 — CID 125171874

IUPAC2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
SMILESOCCN(c1cc([C@@H]2CCOC2)ncn1)C1CCCCC1
InChIInChI=1S/C16H25N3O2/c20-8-7-19(14-4-2-1-3-5-14)16-10-15(17-12-18-16)13-6-9-21-11-13/h10,12-14,20H,1-9,11H2/t13-/m1/s1
InChIKeyPSPAIGXIKAINRZ-CYBMUJFWSA-N
MW291.39 g/mol
LogP2.11
Rot. Bonds5

About 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol

2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 125171874) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID125171874
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
SMILESOCCN(c1cc([C@@H]2CCOC2)ncn1)C1CCCCC1
InChIInChI=1S/C16H25N3O2/c20-8-7-19(14-4-2-1-3-5-14)16-10-15(17-12-18-16)13-6-9-21-11-13/h10,12-14,20H,1-9,11H2/t13-/m1/s1
InChIKeyPSPAIGXIKAINRZ-CYBMUJFWSA-N
XLogP2.11
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126448627
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
N-[3-(azepan-1-yl)propyl]-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126444002
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
2-[(6-cyclopropylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 126848087
N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119070220
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
2-[[4-(aminomethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 54994992

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol (CID 125171874) is 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol is OCCN(c1cc([C@@H]2CCOC2)ncn1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is PSPAIGXIKAINRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-8-7-19(14-4-2-1-3-5-14)16-10-15(17-12-18-16)13-6-9-21-11-13/h10,12-14,20H,1-9,11H2/t13-/m1/s1.
What are the key properties of 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol?
2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 291.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 125171874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).