4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol

C21H35N3O3 — CID 162798804

IUPAC4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol
SMILESCOCCc1nccc(CC2C(NCC3CCCCC3)CC(O)C2CO)n1
InChIInChI=1S/C21H35N3O3/c1-27-10-8-21-22-9-7-16(24-21)11-17-18(14-25)20(26)12-19(17)23-13-15-5-3-2-4-6-15/h7,9,15,17-20,23,25-26H,2-6,8,10-14H2,1H3
InChIKeyTWYKGGAEZNNPTE-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.74
Rot. Bonds9

About 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol

4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol (PubChem CID 162798804) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol
PubChem CID162798804
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol
SMILESCOCCc1nccc(CC2C(NCC3CCCCC3)CC(O)C2CO)n1
InChIInChI=1S/C21H35N3O3/c1-27-10-8-21-22-9-7-16(24-21)11-17-18(14-25)20(26)12-19(17)23-13-15-5-3-2-4-6-15/h7,9,15,17-20,23,25-26H,2-6,8,10-14H2,1H3
InChIKeyTWYKGGAEZNNPTE-UHFFFAOYSA-N
XLogP1.74
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-[(4-chlorophenyl)methylamino]-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol
CID 163082523
4-[(3,4-difluorophenyl)methylamino]-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol
CID 162886091
4-[(4,4-difluorocyclohexyl)amino]-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol
CID 162790702
4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162898305
4-(3,3-dimethylbutylamino)-2-(hydroxymethyl)-3-[(2-methylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 163039429
2,4-bis(2-methoxyethyl)pyrimidine
CID 174836180
3-[(2-tert-butylpyrimidin-4-yl)methyl]-4-[(2-chlorophenyl)methylamino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 162790671
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
4-methoxy-2-(2-methoxyethyl)pyrimidine
CID 174759765
4-(difluoromethyl)-2-(2-methoxyethyl)pyrimidine
CID 123949167

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol (CID 162798804) is 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol is COCCc1nccc(CC2C(NCC3CCCCC3)CC(O)C2CO)n1.
What is the InChIKey of 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol?
The InChIKey is TWYKGGAEZNNPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-27-10-8-21-22-9-7-16(24-21)11-17-18(14-25)20(26)12-19(17)23-13-15-5-3-2-4-6-15/h7,9,15,17-20,23,25-26H,2-6,8,10-14H2,1H3.
What are the key properties of 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol?
4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol has a molecular weight of 377.53 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 162798804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).