2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine

C10H9Cl2N3S — CID 79632615

IUPAC2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Cl)c1ccsc1
InChIInChI=1S/C10H9Cl2N3S/c1-6(7-2-3-16-5-7)14-9-8(11)4-13-10(12)15-9/h2-6H,1H3,(H,13,14,15)
InChIKeyLHLQHZURVUVSSB-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.02
Rot. Bonds3

About 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine

2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine (PubChem CID 79632615) has the molecular formula C10H9Cl2N3S and a molecular weight of 274.18 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
PubChem CID79632615
Molecular FormulaC10H9Cl2N3S
Molecular Weight274.18 g/mol
Exact Mass272.99
IUPAC Name2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Cl)c1ccsc1
InChIInChI=1S/C10H9Cl2N3S/c1-6(7-2-3-16-5-7)14-9-8(11)4-13-10(12)15-9/h2-6H,1H3,(H,13,14,15)
InChIKeyLHLQHZURVUVSSB-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 63729190
3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine
CID 114046558
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
4-chloro-2-methyl-6-(1-thiophen-3-ylethylamino)pyrimidine-5-carbaldehyde
CID 80726659
4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 63423180
2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 106196590
3-bromo-N-(1-thiophen-3-ylethyl)pyridin-2-amine
CID 62840685
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181
3,5-dichloro-4-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 107572860
N-(1-thiophen-3-ylethyl)pyrazin-2-amine
CID 62845252

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine (CID 79632615) is 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine is CC(Nc1nc(Cl)ncc1Cl)c1ccsc1.
What is the InChIKey of 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine?
The InChIKey is LHLQHZURVUVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S/c1-6(7-2-3-16-5-7)14-9-8(11)4-13-10(12)15-9/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine?
2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine has a molecular weight of 274.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 79632615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).