6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

C22H21Cl4N3O2 — CID 154172367

IUPAC6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(Cc2ccc(Cl)cc2Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C22H21Cl4N3O2/c1-12(2)10-28-20(27)17(7-13-3-5-15(23)8-18(13)25)21(30)29(22(28)31)11-14-4-6-16(24)9-19(14)26/h3-6,8-9,12H,7,10-11,27H2,1-2H3
InChIKeyNTKMUNTWWYDPII-UHFFFAOYSA-N
MW501.24 g/mol
LogP5.50
Rot. Bonds6

About 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 154172367) has the molecular formula C22H21Cl4N3O2 and a molecular weight of 501.24 g/mol. Its IUPAC name is 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID154172367
Molecular FormulaC22H21Cl4N3O2
Molecular Weight501.24 g/mol
Exact Mass499.04
IUPAC Name6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(Cc2ccc(Cl)cc2Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C22H21Cl4N3O2/c1-12(2)10-28-20(27)17(7-13-3-5-15(23)8-18(13)25)21(30)29(22(28)31)11-14-4-6-16(24)9-19(14)26/h3-6,8-9,12H,7,10-11,27H2,1-2H3
InChIKeyNTKMUNTWWYDPII-UHFFFAOYSA-N
XLogP5.50
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.24
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 71670443
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
CID 19838821
2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one
CID 67825039
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
4-[(2,4-dichlorophenyl)methyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 50982347
ethyl 2-[6-tert-butyl-3-[(2,4-dichlorophenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetate
CID 10389924
1-[(2,4-dichlorophenyl)methyl]-8-(1-hydroxypropan-2-ylamino)-3,7-dimethylpurine-2,6-dione
CID 3424042
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetate
CID 10366008
3-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide
CID 27624090
4-[(2,4-dichlorophenyl)methyl]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 5295802
4-[(2,4-dichlorophenyl)methyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2967024
1-[(2,4-dichlorophenyl)methylamino]ethanethiol
CID 143498139

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 154172367) is 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(Cc2ccc(Cl)cc2Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is NTKMUNTWWYDPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl4N3O2/c1-12(2)10-28-20(27)17(7-13-3-5-15(23)8-18(13)25)21(30)29(22(28)31)11-14-4-6-16(24)9-19(14)26/h3-6,8-9,12H,7,10-11,27H2,1-2H3.
What are the key properties of 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 501.24 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 154172367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).