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

C14H16ClN3O2 — CID 43233511

IUPAC6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCc2ccccc2Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-17-11(7-13(19)18(2)14(17)20)9-16-8-10-5-3-4-6-12(10)15/h3-7,16H,8-9H2,1-2H3
InChIKeyXGSOIYKKXRZVMM-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.03
Rot. Bonds4

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

6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43233511) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43233511
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCc2ccccc2Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-17-11(7-13(19)18(2)14(17)20)9-16-8-10-5-3-4-6-12(10)15/h3-7,16H,8-9H2,1-2H3
InChIKeyXGSOIYKKXRZVMM-UHFFFAOYSA-N
XLogP1.03
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(4-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233503
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 66253105
1,3-dimethyl-6-[[(5-methylthiophen-2-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 55021421
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 55479239
4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]butanamide
CID 60863950
6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 65039230
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60705584
6-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 106310313
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide
CID 43664954
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43233511) is 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCc2ccccc2Cl)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XGSOIYKKXRZVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-17-11(7-13(19)18(2)14(17)20)9-16-8-10-5-3-4-6-12(10)15/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 293.75 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43233511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).