1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione

C18H15ClN4O3 — CID 1397904

IUPAC1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\Cc1cccnc1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H15ClN4O3/c1-11(21-10-12-3-2-8-20-9-12)15-16(24)22-18(26)23(17(15)25)14-6-4-13(19)5-7-14/h2-9,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyZYIZSUHBAFAGLP-SRZZPIQSSA-N
MW370.80 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione

1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione (PubChem CID 1397904) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione
PubChem CID1397904
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\Cc1cccnc1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H15ClN4O3/c1-11(21-10-12-3-2-8-20-9-12)15-16(24)22-18(26)23(17(15)25)14-6-4-13(19)5-7-14/h2-9,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyZYIZSUHBAFAGLP-SRZZPIQSSA-N
XLogP2.29
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione (CID 1397904) is 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione is C/C(=N\Cc1cccnc1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is ZYIZSUHBAFAGLP-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-11(21-10-12-3-2-8-20-9-12)15-16(24)22-18(26)23(17(15)25)14-6-4-13(19)5-7-14/h2-9,25H,10H2,1H3,(H,22,24,26)/b21-11+.
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione?
1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 370.80 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1397904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).