N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C10H15N3S — CID 51105474

IUPACN-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1csc(CCNC2=NCCCN2)c1
InChIInChI=1S/C10H15N3S/c1-3-9(14-8-1)4-7-13-10-11-5-2-6-12-10/h1,3,8H,2,4-7H2,(H2,11,12,13)
InChIKeyGTFVNKUPWVFCIS-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.23
Rot. Bonds3

About N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 51105474) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID51105474
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1csc(CCNC2=NCCCN2)c1
InChIInChI=1S/C10H15N3S/c1-3-9(14-8-1)4-7-13-10-11-5-2-6-12-10/h1,3,8H,2,4-7H2,(H2,11,12,13)
InChIKeyGTFVNKUPWVFCIS-UHFFFAOYSA-N
XLogP1.23
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 127014926
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
N-[2-(benzenesulfonyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112973
N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918605
N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 62481413
N-[(2-methoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914871
2-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54611616
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601227
3-(6-fluoro-8-thiophen-2-yl-3,4-dihydro-2H-chromen-2-yl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,3-diamine
CID 67650071
5,5-dimethyl-N-(2-thiophen-2-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361150
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 51105474) is N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is c1csc(CCNC2=NCCCN2)c1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GTFVNKUPWVFCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-9(14-8-1)4-7-13-10-11-5-2-6-12-10/h1,3,8H,2,4-7H2,(H2,11,12,13).
What are the key properties of N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 209.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 51105474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).