1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione

C22H23ClN4O3 — CID 59184773

IUPAC1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(C)nc(N)c2)c1
InChIInChI=1S/C22H23ClN4O3/c1-11(2)18-19(20(28)15-5-12(3)6-16(23)9-15)27(22(30)26-21(18)29)10-14-7-13(4)25-17(24)8-14/h5-9,11H,10H2,1-4H3,(H2,24,25)(H,26,29,30)
InChIKeyZEUGOHHFDAUKTC-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.19
Rot. Bonds5

About 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione

1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 59184773) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID59184773
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(C)nc(N)c2)c1
InChIInChI=1S/C22H23ClN4O3/c1-11(2)18-19(20(28)15-5-12(3)6-16(23)9-15)27(22(30)26-21(18)29)10-14-7-13(4)25-17(24)8-14/h5-9,11H,10H2,1-4H3,(H2,24,25)(H,26,29,30)
InChIKeyZEUGOHHFDAUKTC-UHFFFAOYSA-N
XLogP3.19
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 59184773) is 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(C)nc(N)c2)c1.
What is the InChIKey of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is ZEUGOHHFDAUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-11(2)18-19(20(28)15-5-12(3)6-16(23)9-15)27(22(30)26-21(18)29)10-14-7-13(4)25-17(24)8-14/h5-9,11H,10H2,1-4H3,(H2,24,25)(H,26,29,30).
What are the key properties of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 426.90 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 59184773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).