3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione

C13H14ClN3O2 — CID 106934163

IUPAC3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H14ClN3O2/c14-11-3-1-10(2-4-11)9-16-7-5-12(18)17(8-6-15)13(16)19/h1-5,7H,6,8-9,15H2
InChIKeySSNTWTCZUUNTGQ-UHFFFAOYSA-N
MW279.73 g/mol
LogP0.67
Rot. Bonds4

About 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione

3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 106934163) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID106934163
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H14ClN3O2/c14-11-3-1-10(2-4-11)9-16-7-5-12(18)17(8-6-15)13(16)19/h1-5,7H,6,8-9,15H2
InChIKeySSNTWTCZUUNTGQ-UHFFFAOYSA-N
XLogP0.67
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
CID 106934085
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205
3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106934083
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 60697647
4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one
CID 82476056
3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
CID 106934090
3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 106934140
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione (CID 106934163) is 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione is NCCn1c(=O)ccn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is SSNTWTCZUUNTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-11-3-1-10(2-4-11)9-16-7-5-12(18)17(8-6-15)13(16)19/h1-5,7H,6,8-9,15H2.
What are the key properties of 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione?
3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 279.73 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106934163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).