1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione

C13H21N3O3 — CID 103887824

IUPAC1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione
SMILESCC1CC(NCc2cn(C)c(=O)n(C)c2=O)CCO1
InChIInChI=1S/C13H21N3O3/c1-9-6-11(4-5-19-9)14-7-10-8-15(2)13(18)16(3)12(10)17/h8-9,11,14H,4-7H2,1-3H3
InChIKeyWTPNPQQJAUJITG-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.26
Rot. Bonds3

About 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 103887824) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione
PubChem CID103887824
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione
SMILESCC1CC(NCc2cn(C)c(=O)n(C)c2=O)CCO1
InChIInChI=1S/C13H21N3O3/c1-9-6-11(4-5-19-9)14-7-10-8-15(2)13(18)16(3)12(10)17/h8-9,11,14H,4-7H2,1-3H3
InChIKeyWTPNPQQJAUJITG-UHFFFAOYSA-N
XLogP-0.26
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115563750
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
1,3-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione;hydrochloride
CID 154767022
5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 102610386
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
1,3-dimethyl-5-[[(2-propylcyclopropyl)amino]methyl]pyrimidine-2,4-dione
CID 103711534
5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 79831786
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyloxan-4-amine
CID 103888013
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940
N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine
CID 103887979
5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione (CID 103887824) is 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione is CC1CC(NCc2cn(C)c(=O)n(C)c2=O)CCO1.
What is the InChIKey of 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is WTPNPQQJAUJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-6-11(4-5-19-9)14-7-10-8-15(2)13(18)16(3)12(10)17/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103887824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).