5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H23N3O3 — CID 115358536

IUPAC5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCC2(CO)CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-16-8-11(12(19)17(2)13(16)20)7-15-9-14(10-18)5-3-4-6-14/h8,15,18H,3-7,9-10H2,1-2H3
InChIKeyJVCMCIHNTVSJFS-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.27
Rot. Bonds5

About 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 115358536) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID115358536
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCC2(CO)CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-16-8-11(12(19)17(2)13(16)20)7-15-9-14(10-18)5-3-4-6-14/h8,15,18H,3-7,9-10H2,1-2H3
InChIKeyJVCMCIHNTVSJFS-UHFFFAOYSA-N
XLogP-0.27
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-((1-(Hydroxymethyl)cyclobutyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 385299
1-[[1-(Hydroxymethyl)cyclopentyl]methyl]pyrimidine-2,4-dione
CID 385298
5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 97153305
1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 5323732
1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 15509786
5-[[[1-(Hydroxymethyl)cyclopentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55081610
1,3-Dimethyl-5-[[(1-methylcyclopentyl)methylamino]methyl]pyrimidine-2,4-dione
CID 55260626
CID 56968205
CID 56968205
5-[[(1-Hydroxycyclopentyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63932673
5-[[(2-Hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 64929996
5-[[(2-Hydroxycyclopentyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 65833629
5-[[[2-(Hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 65926385

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 115358536) is 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCC2(CO)CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JVCMCIHNTVSJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16-8-11(12(19)17(2)13(16)20)7-15-9-14(10-18)5-3-4-6-14/h8,15,18H,3-7,9-10H2,1-2H3.
What are the key properties of 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 115358536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).