6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine

C19H19ClFN5O — CID 56949471

IUPAC6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine
SMILESC=C(F)CNc1nc(OCCCc2ccc3cccnc3n2)nc(Cl)c1C
InChIInChI=1S/C19H19ClFN5O/c1-12(21)11-23-17-13(2)16(20)25-19(26-17)27-10-4-6-15-8-7-14-5-3-9-22-18(14)24-15/h3,5,7-9H,1,4,6,10-11H2,2H3,(H,23,25,26)
InChIKeyDWBOZDOBQNDYAF-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.29
Rot. Bonds8

About 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine

6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine (PubChem CID 56949471) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine
PubChem CID56949471
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC Name6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine
SMILESC=C(F)CNc1nc(OCCCc2ccc3cccnc3n2)nc(Cl)c1C
InChIInChI=1S/C19H19ClFN5O/c1-12(21)11-23-17-13(2)16(20)25-19(26-17)27-10-4-6-15-8-7-14-5-3-9-22-18(14)24-15/h3,5,7-9H,1,4,6,10-11H2,2H3,(H,23,25,26)
InChIKeyDWBOZDOBQNDYAF-UHFFFAOYSA-N
XLogP4.29
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine (CID 56949471) is 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine is C=C(F)CNc1nc(OCCCc2ccc3cccnc3n2)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine?
The InChIKey is DWBOZDOBQNDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c1-12(21)11-23-17-13(2)16(20)25-19(26-17)27-10-4-6-15-8-7-14-5-3-9-22-18(14)24-15/h3,5,7-9H,1,4,6,10-11H2,2H3,(H,23,25,26).
What are the key properties of 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine?
6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine has a molecular weight of 387.85 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine is sourced from PubChem (CID 56949471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).