6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine

C14H18ClN3S — CID 80977253

IUPAC6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2ccc(Cl)s2)n1
InChIInChI=1S/C14H18ClN3S/c1-4-6-12-17-13(10-7-8-11(15)19-10)9(3)14(18-12)16-5-2/h7-8H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyFQSLHRGPVPIJRO-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.55
Rot. Bonds5

About 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine

6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80977253) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80977253
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2ccc(Cl)s2)n1
InChIInChI=1S/C14H18ClN3S/c1-4-6-12-17-13(10-7-8-11(15)19-10)9(3)14(18-12)16-5-2/h7-8H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyFQSLHRGPVPIJRO-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile
CID 80974727
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977454
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977618
N-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80975348
N-ethyl-6-(1-ethylimidazol-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976649
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
CID 80976401
6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80975059
N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977825
6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80992880
5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 66295486

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine (CID 80977253) is 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(-c2ccc(Cl)s2)n1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is FQSLHRGPVPIJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-4-6-12-17-13(10-7-8-11(15)19-10)9(3)14(18-12)16-5-2/h7-8H,4-6H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80977253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).