N-(1-thiophen-3-ylethyl)pyrimidin-5-amine

C10H11N3S — CID 107588181

IUPACN-(1-thiophen-3-ylethyl)pyrimidin-5-amine
SMILESCC(Nc1cncnc1)c1ccsc1
InChIInChI=1S/C10H11N3S/c1-8(9-2-3-14-6-9)13-10-4-11-7-12-5-10/h2-8,13H,1H3
InChIKeyXCBNBBMKQHALJB-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.71
Rot. Bonds3

About N-(1-thiophen-3-ylethyl)pyrimidin-5-amine

N-(1-thiophen-3-ylethyl)pyrimidin-5-amine (PubChem CID 107588181) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)pyrimidin-5-amine
PubChem CID107588181
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC NameN-(1-thiophen-3-ylethyl)pyrimidin-5-amine
SMILESCC(Nc1cncnc1)c1ccsc1
InChIInChI=1S/C10H11N3S/c1-8(9-2-3-14-6-9)13-10-4-11-7-12-5-10/h2-8,13H,1H3
InChIKeyXCBNBBMKQHALJB-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-3-ylethyl)pyridin-3-amine
CID 62090458
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
1-methyl-N-(1-thiophen-3-ylethyl)pyrazol-4-amine
CID 62090667
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
N-(1-thiophen-3-ylethyl)pyrazin-2-amine
CID 62845252
2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
CID 62090337
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-(1-thiophen-3-ylethyl)-4-(trifluoromethoxy)aniline
CID 55032953
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
3,5-dichloro-4-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 107572860
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline
CID 62089304

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)pyrimidin-5-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)pyrimidin-5-amine (CID 107588181) is N-(1-thiophen-3-ylethyl)pyrimidin-5-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)pyrimidin-5-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)pyrimidin-5-amine is CC(Nc1cncnc1)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)pyrimidin-5-amine?
The InChIKey is XCBNBBMKQHALJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-8(9-2-3-14-6-9)13-10-4-11-7-12-5-10/h2-8,13H,1H3.
What are the key properties of N-(1-thiophen-3-ylethyl)pyrimidin-5-amine?
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine has a molecular weight of 205.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)pyrimidin-5-amine is sourced from PubChem (CID 107588181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).