1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione

C21H20Cl2N4O4 — CID 142691105

IUPAC1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCOc1cc(Cn2c(C(=O)c3cc(Cl)cc(C)n3)c(C(C)C)c(=O)[nH]c2=O)cc(Cl)n1
InChIInChI=1S/C21H20Cl2N4O4/c1-10(2)17-18(19(28)14-8-13(22)5-11(3)24-14)27(21(30)26-20(17)29)9-12-6-15(23)25-16(7-12)31-4/h5-8,10H,9H2,1-4H3,(H,26,29,30)
InChIKeyMBSSNPQRZDWHCQ-UHFFFAOYSA-N
MW463.32 g/mol
LogP3.35
Rot. Bonds6

About 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione

1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 142691105) has the molecular formula C21H20Cl2N4O4 and a molecular weight of 463.32 g/mol. Its IUPAC name is 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID142691105
Molecular FormulaC21H20Cl2N4O4
Molecular Weight463.32 g/mol
Exact Mass462.09
IUPAC Name1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCOc1cc(Cn2c(C(=O)c3cc(Cl)cc(C)n3)c(C(C)C)c(=O)[nH]c2=O)cc(Cl)n1
InChIInChI=1S/C21H20Cl2N4O4/c1-10(2)17-18(19(28)14-8-13(22)5-11(3)24-14)27(21(30)26-20(17)29)9-12-6-15(23)25-16(7-12)31-4/h5-8,10H,9H2,1-4H3,(H,26,29,30)
InChIKeyMBSSNPQRZDWHCQ-UHFFFAOYSA-N
XLogP3.35
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-amino-6-bromo-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142691154
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 59184773
(E)-3-[3-[3-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylphenyl]prop-2-enenitrile
CID 59184746
3-[3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile
CID 59686844
6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-(methylamino)-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 59184662
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione
CID 142691082
6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 15957772
2-chloro-6-methylpyridine-4-carboxylic acid;(2-chloro-6-methyl-4-pyridinyl)methanol;3-[3-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile;(2-chloro-6-methyl-4-pyridinyl)methyl methanesulfonate;3-(2,4-dioxo-5-propan-2-yl-1H-pyrimidine-6-carbonyl)-5-methylbenzonitrile
CID 158175523
6-(3,5-dimethylbenzoyl)-1-[(9,10-dioxoanthracen-2-yl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 15957784
3-[3-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-2,6-dioxo-5-propan-2-ylpyrimidin-4-yl]oxy-5-methylbenzaldehyde
CID 59184750
6-(3,5-dimethylbenzoyl)-1-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203503
1-butyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203491

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 142691105) is 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione is COc1cc(Cn2c(C(=O)c3cc(Cl)cc(C)n3)c(C(C)C)c(=O)[nH]c2=O)cc(Cl)n1.
What is the InChIKey of 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is MBSSNPQRZDWHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O4/c1-10(2)17-18(19(28)14-8-13(22)5-11(3)24-14)27(21(30)26-20(17)29)9-12-6-15(23)25-16(7-12)31-4/h5-8,10H,9H2,1-4H3,(H,26,29,30).
What are the key properties of 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione?
1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 463.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 142691105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).