6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one

C18H18Cl2N4O2 — CID 156732178

IUPAC6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one
SMILESCC(C)c1ncnc(C(C)C)c1-n1c(=O)cc(O)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C18H18Cl2N4O2/c1-8(2)14-16(15(9(3)4)22-7-21-14)24-13(26)6-12(25)10-5-11(19)17(20)23-18(10)24/h5-9,25H,1-4H3
InChIKeyXOSHZIDGLMKBHU-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.43
Rot. Bonds3

About 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one

6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one (PubChem CID 156732178) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one
PubChem CID156732178
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one
SMILESCC(C)c1ncnc(C(C)C)c1-n1c(=O)cc(O)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C18H18Cl2N4O2/c1-8(2)14-16(15(9(3)4)22-7-21-14)24-13(26)6-12(25)10-5-11(19)17(20)23-18(10)24/h5-9,25H,1-4H3
InChIKeyXOSHZIDGLMKBHU-UHFFFAOYSA-N
XLogP4.43
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 135379143
6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146254500
6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 150553078
1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6,7-dichloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 153292794
7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one
CID 164757976
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 153292541
6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 163236140
4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235349
(2R)-4-[7-(2-amino-3,5-dichloro-6-fluorophenyl)-6-chloro-3-cyano-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-2-oxo-1,8-naphthyridin-4-yl]-2-methylpiperazine-1-carboxylic acid
CID 175158374
(2R)-4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]-2-methylpiperazine-1-carboxylic acid
CID 166747072
4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]-2-methylpiperazine-1-carboxylic acid
CID 166747074
tert-butyl 8-[6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164523662

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one?
The IUPAC name of 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one (CID 156732178) is 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one?
The canonical SMILES for 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one is CC(C)c1ncnc(C(C)C)c1-n1c(=O)cc(O)c2cc(Cl)c(Cl)nc21.
What is the InChIKey of 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one?
The InChIKey is XOSHZIDGLMKBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-8(2)14-16(15(9(3)4)22-7-21-14)24-13(26)6-12(25)10-5-11(19)17(20)23-18(10)24/h5-9,25H,1-4H3.
What are the key properties of 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one?
6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one has a molecular weight of 393.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 156732178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).