[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

C14H14F2N4O — CID 106473686

IUPAC[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2cccc(C(F)F)c2)nc2c1COCC2
InChIInChI=1S/C14H14F2N4O/c15-12(16)8-2-1-3-9(6-8)13-18-11-4-5-21-7-10(11)14(19-13)20-17/h1-3,6,12H,4-5,7,17H2,(H,18,19,20)
InChIKeyYKIRFQKBYDHGCM-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.44
Rot. Bonds3

About [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 106473686) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
PubChem CID106473686
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2cccc(C(F)F)c2)nc2c1COCC2
InChIInChI=1S/C14H14F2N4O/c15-12(16)8-2-1-3-9(6-8)13-18-11-4-5-21-7-10(11)14(19-13)20-17/h1-3,6,12H,4-5,7,17H2,(H,18,19,20)
InChIKeyYKIRFQKBYDHGCM-UHFFFAOYSA-N
XLogP2.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethyl)phenyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472817
2-[3-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115528392
[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115528611
2-[3-(difluoromethyl)phenyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115528426
[2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473417
2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472747
[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473597
[2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473494
[2-(4-chloro-2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106819770
2-(3-ethoxyphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472247
2-(3-chlorophenyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472544
[2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473523

Frequently Asked Questions

What is the IUPAC name of [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (CID 106473686) is [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2cccc(C(F)F)c2)nc2c1COCC2.
What is the InChIKey of [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is YKIRFQKBYDHGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c15-12(16)8-2-1-3-9(6-8)13-18-11-4-5-21-7-10(11)14(19-13)20-17/h1-3,6,12H,4-5,7,17H2,(H,18,19,20).
What are the key properties of [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 292.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106473686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).