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

C14H15BrN4O — CID 106472372

IUPAC2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cncc(Br)c2)nc2c1COCC2
InChIInChI=1S/C14H15BrN4O/c1-2-17-14-11-8-20-4-3-12(11)18-13(19-14)9-5-10(15)7-16-6-9/h5-7H,2-4,8H2,1H3,(H,17,18,19)
InChIKeyGQMLYRABPSIBQU-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.81
Rot. Bonds3

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

2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472372) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472372
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cncc(Br)c2)nc2c1COCC2
InChIInChI=1S/C14H15BrN4O/c1-2-17-14-11-8-20-4-3-12(11)18-13(19-14)9-5-10(15)7-16-6-9/h5-7H,2-4,8H2,1H3,(H,17,18,19)
InChIKeyGQMLYRABPSIBQU-UHFFFAOYSA-N
XLogP2.81
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472412
2-(3,4-dimethylphenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472702
2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472685
N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472494
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
3-[4-(ethylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-5-fluorophenol
CID 106472699
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472680
2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729
2-(5-chloro-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472466
2-(3-bromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472733
N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472711
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472372) is 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(-c2cncc(Br)c2)nc2c1COCC2.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is GQMLYRABPSIBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-2-17-14-11-8-20-4-3-12(11)18-13(19-14)9-5-10(15)7-16-6-9/h5-7H,2-4,8H2,1H3,(H,17,18,19).
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 335.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).