1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol

C16H25N3O2 — CID 110115532

IUPAC1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCc1ccnc(C2CN(CC3(O)CCCCC3)CCO2)n1
InChIInChI=1S/C16H25N3O2/c1-13-5-8-17-15(18-13)14-11-19(9-10-21-14)12-16(20)6-3-2-4-7-16/h5,8,14,20H,2-4,6-7,9-12H2,1H3
InChIKeyCKWYEMHWBHGTFQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.85
Rot. Bonds3

About 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol

1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol (PubChem CID 110115532) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
PubChem CID110115532
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCc1ccnc(C2CN(CC3(O)CCCCC3)CCO2)n1
InChIInChI=1S/C16H25N3O2/c1-13-5-8-17-15(18-13)14-11-19(9-10-21-14)12-16(20)6-3-2-4-7-16/h5,8,14,20H,2-4,6-7,9-12H2,1H3
InChIKeyCKWYEMHWBHGTFQ-UHFFFAOYSA-N
XLogP1.85
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124999428
N,N-dimethyl-5-[[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]pyrimidin-2-amine
CID 124964770
1-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 111104469
1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol
CID 95751147
(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 125025847
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
CID 124942629
1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124944644
1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110115499
1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350924
1-[[2-(aminomethyl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 114398634
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 125000690
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115520

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol (CID 110115532) is 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol is Cc1ccnc(C2CN(CC3(O)CCCCC3)CCO2)n1.
What is the InChIKey of 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol?
The InChIKey is CKWYEMHWBHGTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-5-8-17-15(18-13)14-11-19(9-10-21-14)12-16(20)6-3-2-4-7-16/h5,8,14,20H,2-4,6-7,9-12H2,1H3.
What are the key properties of 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol?
1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110115532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).