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

C15H15ClFN3O — CID 58075517

IUPAC2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cl)nc2c1COCC2c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c1-2-18-14-12-8-21-7-11(13(12)19-15(16)20-14)9-3-5-10(17)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,18,19,20)
InChIKeyUTECHSWXONEPLI-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.36
Rot. Bonds3

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

2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 58075517) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID58075517
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cl)nc2c1COCC2c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c1-2-18-14-12-8-21-7-11(13(12)19-15(16)20-14)9-3-5-10(17)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,18,19,20)
InChIKeyUTECHSWXONEPLI-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[3-(Dimethylamino)propylamino]-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 1896949
6-(benzylamino)-8-butyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 1903237
N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131656543
(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine
CID 97507059
N-(3,4-dihydro-1H-isochromen-1-yl)-6-methylpyridin-2-amine
CID 145965037
2-(benzylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 799288
6-(Benzylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 823267
6-(Benzylamino)-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 562161
(8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine
CID 5469513
N-(4-fluorophenyl)-4-[7-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5,6-dimethylpyrimidin-2-amine
CID 53734896
4-(4-Fluorophenyl)-2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 57881248
2,4-Dichloro-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine
CID 58075255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 58075517) is 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(Cl)nc2c1COCC2c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is UTECHSWXONEPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-18-14-12-8-21-7-11(13(12)19-15(16)20-14)9-3-5-10(17)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 307.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58075517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).