2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C14H13ClFN3O — CID 58075510

IUPAC2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1COCC2c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-11-7-20-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,18,19)
InChIKeyRSRUDDJXPATLPJ-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.97
Rot. Bonds2

About 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 58075510) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID58075510
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1COCC2c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-11-7-20-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,18,19)
InChIKeyRSRUDDJXPATLPJ-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 58075510) is 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1COCC2c1ccc(F)cc1.
What is the InChIKey of 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is RSRUDDJXPATLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-17-13-11-7-20-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 293.73 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58075510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).