6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine

C11H12ClN3S — CID 107360970

IUPAC6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-c1sccc1Cl
InChIInChI=1S/C11H12ClN3S/c1-6(2)8-9(14-5-15-11(8)13)10-7(12)3-4-16-10/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyVOUZVRDOWVYEMY-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.56
Rot. Bonds2

About 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine

6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 107360970) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID107360970
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-c1sccc1Cl
InChIInChI=1S/C11H12ClN3S/c1-6(2)8-9(14-5-15-11(8)13)10-7(12)3-4-16-10/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyVOUZVRDOWVYEMY-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 80645378
6-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 103132081
5-(3-chlorothiophen-2-yl)-1,3-thiazol-2-amine
CID 107360465
2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
CID 107360951
6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80868992
5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80757343
6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681516
4-N-(2-chloro-4-iodophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107604821
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284
1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130961429
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine (CID 107360970) is 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1-c1sccc1Cl.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is VOUZVRDOWVYEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-6(2)8-9(14-5-15-11(8)13)10-7(12)3-4-16-10/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine?
6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorothiophen-2-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107360970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).