5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine

C16H22BrN3S — CID 66296335

IUPAC5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(CC)s2)nc(CCC)c1Br
InChIInChI=1S/C16H22BrN3S/c1-4-7-12-14(17)16(18-10-5-2)20-15(19-12)13-9-8-11(6-3)21-13/h8-9H,4-7,10H2,1-3H3,(H,18,19,20)
InChIKeyJYOGQCOIAMRMKA-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.30
Rot. Bonds7

About 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine

5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 66296335) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
PubChem CID66296335
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC Name5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(CC)s2)nc(CCC)c1Br
InChIInChI=1S/C16H22BrN3S/c1-4-7-12-14(17)16(18-10-5-2)20-15(19-12)13-9-8-11(6-3)21-13/h8-9H,4-7,10H2,1-3H3,(H,18,19,20)
InChIKeyJYOGQCOIAMRMKA-UHFFFAOYSA-N
XLogP5.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine (CID 66296335) is 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(-c2ccc(CC)s2)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is JYOGQCOIAMRMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-4-7-12-14(17)16(18-10-5-2)20-15(19-12)13-9-8-11(6-3)21-13/h8-9H,4-7,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine?
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 368.34 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 66296335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).