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

C14H14Br2N4O — CID 106472412

IUPAC2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(Br)cc2Br)nc2c1COCC2
InChIInChI=1S/C14H14Br2N4O/c1-2-17-13-9-7-21-4-3-11(9)19-14(20-13)12-10(16)5-8(15)6-18-12/h5-6H,2-4,7H2,1H3,(H,17,19,20)
InChIKeyWJKGTLXDUAQFCO-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.57
Rot. Bonds3

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

2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472412) has the molecular formula C14H14Br2N4O and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472412
Molecular FormulaC14H14Br2N4O
Molecular Weight414.10 g/mol
Exact Mass411.95
IUPAC Name2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(Br)cc2Br)nc2c1COCC2
InChIInChI=1S/C14H14Br2N4O/c1-2-17-13-9-7-21-4-3-11(9)19-14(20-13)12-10(16)5-8(15)6-18-12/h5-6H,2-4,7H2,1H3,(H,17,19,20)
InChIKeyWJKGTLXDUAQFCO-UHFFFAOYSA-N
XLogP3.57
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472372
2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472685
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472680
2-(3-bromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472733
N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472494
2-(5-chloro-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472466
2-(3,4-dimethylphenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472702
N-ethyl-2-(6-methoxypyrimidin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472486
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472412) is 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(-c2ncc(Br)cc2Br)nc2c1COCC2.
What is the InChIKey of 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is WJKGTLXDUAQFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N4O/c1-2-17-13-9-7-21-4-3-11(9)19-14(20-13)12-10(16)5-8(15)6-18-12/h5-6H,2-4,7H2,1H3,(H,17,19,20).
What are the key properties of 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 414.10 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).