5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C15H25N3O2 — CID 136965510

IUPAC5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCC2(CO)CCCC2)c(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(13-11(2)17-12(3)18-14(13)20)16-8-15(9-19)6-4-5-7-15/h10,16,19H,4-9H2,1-3H3,(H,17,18,20)
InChIKeyAZKZFLFROSXBMP-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.59
Rot. Bonds5

About 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136965510) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136965510
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCC2(CO)CCCC2)c(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(13-11(2)17-12(3)18-14(13)20)16-8-15(9-19)6-4-5-7-15/h10,16,19H,4-9H2,1-3H3,(H,17,18,20)
InChIKeyAZKZFLFROSXBMP-UHFFFAOYSA-N
XLogP1.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930
[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358873
5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136857354
[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 113293581
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106281531
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
[1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 102612886
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136963125
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136965510) is 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCC2(CO)CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is AZKZFLFROSXBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(13-11(2)17-12(3)18-14(13)20)16-8-15(9-19)6-4-5-7-15/h10,16,19H,4-9H2,1-3H3,(H,17,18,20).
What are the key properties of 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136965510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).