2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C14H15Br2N3OS — CID 106472651

IUPAC2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Br)c(Br)s2)nc2c1COCC2
InChIInChI=1S/C14H15Br2N3OS/c1-2-4-17-13-8-7-20-5-3-10(8)18-14(19-13)11-6-9(15)12(16)21-11/h6H,2-5,7H2,1H3,(H,17,18,19)
InChIKeyHEGYAHYAZSVMGO-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.62
Rot. Bonds4

About 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472651) has the molecular formula C14H15Br2N3OS and a molecular weight of 433.17 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472651
Molecular FormulaC14H15Br2N3OS
Molecular Weight433.17 g/mol
Exact Mass430.93
IUPAC Name2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Br)c(Br)s2)nc2c1COCC2
InChIInChI=1S/C14H15Br2N3OS/c1-2-4-17-13-8-7-20-5-3-10(8)18-14(19-13)11-6-9(15)12(16)21-11/h6H,2-5,7H2,1H3,(H,17,18,19)
InChIKeyHEGYAHYAZSVMGO-UHFFFAOYSA-N
XLogP4.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(1H-imidazol-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472516
N-propyl-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472650
[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473662
2-(1,5-dimethylpyrazol-4-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472668
2-(3-chlorophenyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472544
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102844042
2-(3-ethylimidazol-4-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472648
2-N,2-N-diethyl-4-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine-2,4-diamine
CID 106472565
2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472619
2-(3-bromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472733

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472651) is 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCCNc1nc(-c2cc(Br)c(Br)s2)nc2c1COCC2.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is HEGYAHYAZSVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3OS/c1-2-4-17-13-8-7-20-5-3-10(8)18-14(19-13)11-6-9(15)12(16)21-11/h6H,2-5,7H2,1H3,(H,17,18,19).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 433.17 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).