6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione

C19H18Cl2N4O2 — CID 55387279

IUPAC6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCN(Cc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18Cl2N4O2/c1-24(11-13-7-8-14(20)9-15(13)21)16-17(22)25(19(27)23-18(16)26)10-12-5-3-2-4-6-12/h2-9H,10-11,22H2,1H3,(H,23,26,27)
InChIKeyXGDOPPXQIPGSKO-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.11
Rot. Bonds5

About 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione (PubChem CID 55387279) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione
PubChem CID55387279
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCN(Cc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18Cl2N4O2/c1-24(11-13-7-8-14(20)9-15(13)21)16-17(22)25(19(27)23-18(16)26)10-12-5-3-2-4-6-12/h2-9H,10-11,22H2,1H3,(H,23,26,27)
InChIKeyXGDOPPXQIPGSKO-UHFFFAOYSA-N
XLogP3.11
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78807351
6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646156
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 55336893
6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione
CID 55500269
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-chlorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848050
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 4805501
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26120760
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(3-chlorophenyl)-N-methylpyrazole-4-carboxamide
CID 55883929
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)sulfanyl-N-methylpropanamide
CID 55456274
6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 47069566
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-propan-2-ylphenyl)acetamide
CID 55500423

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione (CID 55387279) is 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione is CN(Cc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione?
The InChIKey is XGDOPPXQIPGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-24(11-13-7-8-14(20)9-15(13)21)16-17(22)25(19(27)23-18(16)26)10-12-5-3-2-4-6-12/h2-9H,10-11,22H2,1H3,(H,23,26,27).
What are the key properties of 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione has a molecular weight of 405.29 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 55387279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).