1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine

C11H10BrN3S — CID 116903564

IUPAC1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine
SMILESNC1(c2nccc(-c3cc(Br)cs3)n2)CC1
InChIInChI=1S/C11H10BrN3S/c12-7-5-9(16-6-7)8-1-4-14-10(15-8)11(13)2-3-11/h1,4-6H,2-3,13H2
InChIKeySIRUXEZSXRSVIS-UHFFFAOYSA-N
MW296.19 g/mol
LogP2.92
Rot. Bonds2

About 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine

1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine (PubChem CID 116903564) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine
PubChem CID116903564
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine
SMILESNC1(c2nccc(-c3cc(Br)cs3)n2)CC1
InChIInChI=1S/C11H10BrN3S/c12-7-5-9(16-6-7)8-1-4-14-10(15-8)11(13)2-3-11/h1,4-6H,2-3,13H2
InChIKeySIRUXEZSXRSVIS-UHFFFAOYSA-N
XLogP2.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902686
[3-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]oxetan-3-yl]methanamine
CID 116902971
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
CID 116899757
1-(4-pyridin-2-ylpyrimidin-2-yl)cyclopropan-1-amine
CID 116903588
2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490190
N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 107355309
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 107355306
1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
CID 116969864
1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903584
1-[5-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853372
2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]-2-(methylamino)acetic acid
CID 116903492
[1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902544

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine (CID 116903564) is 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine is NC1(c2nccc(-c3cc(Br)cs3)n2)CC1.
What is the InChIKey of 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine?
The InChIKey is SIRUXEZSXRSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c12-7-5-9(16-6-7)8-1-4-14-10(15-8)11(13)2-3-11/h1,4-6H,2-3,13H2.
What are the key properties of 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine?
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine has a molecular weight of 296.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116903564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).