cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine

C12H13N3S — CID 107589478

IUPACcyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine
SMILESNC(c1ccc(-c2cncnc2)s1)C1CC1
InChIInChI=1S/C12H13N3S/c13-12(8-1-2-8)11-4-3-10(16-11)9-5-14-7-15-6-9/h3-8,12H,1-2,13H2
InChIKeyOZBVKIWRYBSFFW-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.61
Rot. Bonds3

About cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine

cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine (PubChem CID 107589478) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine
PubChem CID107589478
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Namecyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine
SMILESNC(c1ccc(-c2cncnc2)s1)C1CC1
InChIInChI=1S/C12H13N3S/c13-12(8-1-2-8)11-4-3-10(16-11)9-5-14-7-15-6-9/h3-8,12H,1-2,13H2
InChIKeyOZBVKIWRYBSFFW-UHFFFAOYSA-N
XLogP2.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine
CID 82542221
[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43154410
cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine
CID 55119222
N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
CID 107589464
[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 54955892
[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine
CID 43331838
5-pyrimidin-5-ylthiophen-2-amine
CID 82374621
[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81275428
[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43363459
[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43806601
3-(5-pyrimidin-5-ylthiophen-2-yl)butanoic acid
CID 82543393
5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
CID 130877567

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine?
The IUPAC name of cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine (CID 107589478) is cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine.
What is the SMILES notation for cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine?
The canonical SMILES for cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine is NC(c1ccc(-c2cncnc2)s1)C1CC1.
What is the InChIKey of cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine?
The InChIKey is OZBVKIWRYBSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-12(8-1-2-8)11-4-3-10(16-11)9-5-14-7-15-6-9/h3-8,12H,1-2,13H2.
What are the key properties of cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine?
cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine has a molecular weight of 231.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 107589478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).