(7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine

C10H11BrN4S — CID 89116345

IUPAC(7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine
SMILESNC1=N[C@H](c2cc(Br)cs2)CC2=NCCN12
InChIInChI=1S/C10H11BrN4S/c11-6-3-8(16-5-6)7-4-9-13-1-2-15(9)10(12)14-7/h3,5,7H,1-2,4H2,(H2,12,14)/t7-/m0/s1
InChIKeyMPXUILRNEIOPFN-ZETCQYMHSA-N
MW299.20 g/mol
LogP1.98
Rot. Bonds1

About (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine

(7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 89116345) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name(7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine
PubChem CID89116345
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name(7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine
SMILESNC1=N[C@H](c2cc(Br)cs2)CC2=NCCN12
InChIInChI=1S/C10H11BrN4S/c11-6-3-8(16-5-6)7-4-9-13-1-2-15(9)10(12)14-7/h3,5,7H,1-2,4H2,(H2,12,14)/t7-/m0/s1
InChIKeyMPXUILRNEIOPFN-ZETCQYMHSA-N
XLogP1.98
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine (CID 89116345) is (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine is NC1=N[C@H](c2cc(Br)cs2)CC2=NCCN12.
What is the InChIKey of (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is MPXUILRNEIOPFN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11BrN4S/c11-6-3-8(16-5-6)7-4-9-13-1-2-15(9)10(12)14-7/h3,5,7H,1-2,4H2,(H2,12,14)/t7-/m0/s1.
What are the key properties of (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine?
(7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 299.20 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-bromothiophen-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 89116345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).