N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine

C12H13N3S2 — CID 113388628

IUPACN-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine
SMILESc1csc(Sc2ncc(CNC3CC3)cn2)c1
InChIInChI=1S/C12H13N3S2/c1-2-11(16-5-1)17-12-14-7-9(8-15-12)6-13-10-3-4-10/h1-2,5,7-8,10,13H,3-4,6H2
InChIKeyIUITUNIIECMKIC-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.94
Rot. Bonds5

About N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine

N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine (PubChem CID 113388628) has the molecular formula C12H13N3S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine
PubChem CID113388628
Molecular FormulaC12H13N3S2
Molecular Weight263.39 g/mol
Exact Mass263.06
IUPAC NameN-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine
SMILESc1csc(Sc2ncc(CNC3CC3)cn2)c1
InChIInChI=1S/C12H13N3S2/c1-2-11(16-5-1)17-12-14-7-9(8-15-12)6-13-10-3-4-10/h1-2,5,7-8,10,13H,3-4,6H2
InChIKeyIUITUNIIECMKIC-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 113388685
N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757142
N-[(2-cyclopropylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62757323
N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068085
N-[[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403495
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 80636888
4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine
CID 62577729
N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757509

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine (CID 113388628) is N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine is c1csc(Sc2ncc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine?
The InChIKey is IUITUNIIECMKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S2/c1-2-11(16-5-1)17-12-14-7-9(8-15-12)6-13-10-3-4-10/h1-2,5,7-8,10,13H,3-4,6H2.
What are the key properties of N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine?
N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine has a molecular weight of 263.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 113388628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).