6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H25N3O3 — CID 103966313

IUPAC6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC2(CO)CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H25N3O3/c1-17-12(8-13(20)18(2)14(17)21)9-16-10-15(11-19)6-4-3-5-7-15/h8,16,19H,3-7,9-11H2,1-2H3
InChIKeySGKLSKAMAZQCQZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.12
Rot. Bonds5

About 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 103966313) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID103966313
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC2(CO)CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H25N3O3/c1-17-12(8-13(20)18(2)14(17)21)9-16-10-15(11-19)6-4-3-5-7-15/h8,16,19H,3-7,9-11H2,1-2H3
InChIKeySGKLSKAMAZQCQZ-UHFFFAOYSA-N
XLogP0.12
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 105416845
5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115358536
[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 115683848
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802
6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115406703
6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 113450124
1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione
CID 56819906
[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965890
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione
CID 113465620
6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 83176702

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 103966313) is 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCC2(CO)CCCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SGKLSKAMAZQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-17-12(8-13(20)18(2)14(17)21)9-16-10-15(11-19)6-4-3-5-7-15/h8,16,19H,3-7,9-11H2,1-2H3.
What are the key properties of 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 295.38 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 103966313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).