[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane

C16H14Cl2FN4OP — CID 170449520

IUPAC[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane
SMILESCc1nc2cc(F)c(-c3cnc(OCP(C)C)nc3)nc2c(Cl)c1Cl
InChIInChI=1S/C16H14Cl2FN4OP/c1-8-12(17)13(18)15-11(22-8)4-10(19)14(23-15)9-5-20-16(21-6-9)24-7-25(2)3/h4-6H,7H2,1-3H3
InChIKeySXHXHWOEYUJTLB-UHFFFAOYSA-N
MW399.19 g/mol
LogP4.92
Rot. Bonds4

About [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane

[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane (PubChem CID 170449520) has the molecular formula C16H14Cl2FN4OP and a molecular weight of 399.19 g/mol. Its IUPAC name is [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane.

Molecular Properties

Compound Name[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane
PubChem CID170449520
Molecular FormulaC16H14Cl2FN4OP
Molecular Weight399.19 g/mol
Exact Mass398.03
IUPAC Name[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane
SMILESCc1nc2cc(F)c(-c3cnc(OCP(C)C)nc3)nc2c(Cl)c1Cl
InChIInChI=1S/C16H14Cl2FN4OP/c1-8-12(17)13(18)15-11(22-8)4-10(19)14(23-15)9-5-20-16(21-6-9)24-7-25(2)3/h4-6H,7H2,1-3H3
InChIKeySXHXHWOEYUJTLB-UHFFFAOYSA-N
XLogP4.92
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.19
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane
CID 170446076
3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine
CID 166558223
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
CID 170449612
3-[(1R)-1-[[6-[2-(5-azidopentoxy)pyrimidin-5-yl]-3-chloro-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-4-fluorobenzonitrile
CID 164574572
[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane
CID 170446520
1-[3-[1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]phenyl]ethane-1,2-diol
CID 135286511
1-[3-[(1R)-1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-4-fluorophenyl]ethane-1,2-diol
CID 126531141
3-[1-[[3-chloro-6-(2-dimethylphosphanylpyrimidin-5-yl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2,2-difluoroethyl]-4-fluorobenzonitrile
CID 170619263
N-[5-[5-[7-chloro-8-[1-(5-cyano-2-fluorophenyl)ethylamino]-3-fluoro-6-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]oxypentyl]-2,2,2-trifluoroacetamide
CID 174234350
3-chloro-N-[(1R)-1-(2,3-difluorophenyl)propyl]-6-(2-dimethylphosphorylpyrimidin-5-yl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
CID 170445709
3-chloro-6-(2-dimethylphosphorylpyrimidin-5-yl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine
CID 170444845
[5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane
CID 170447427

Frequently Asked Questions

What is the IUPAC name of [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane?
The IUPAC name of [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane (CID 170449520) is [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane.
What is the SMILES notation for [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane?
The canonical SMILES for [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane is Cc1nc2cc(F)c(-c3cnc(OCP(C)C)nc3)nc2c(Cl)c1Cl.
What is the InChIKey of [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane?
The InChIKey is SXHXHWOEYUJTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN4OP/c1-8-12(17)13(18)15-11(22-8)4-10(19)14(23-15)9-5-20-16(21-6-9)24-7-25(2)3/h4-6H,7H2,1-3H3.
What are the key properties of [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane?
[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane has a molecular weight of 399.19 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane is sourced from PubChem (CID 170449520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).