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

C15H20ClN3S — CID 79427994

IUPAC2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Cl)cs2)nc(C)c1C(C)C
InChIInChI=1S/C15H20ClN3S/c1-5-6-17-15-13(9(2)3)10(4)18-14(19-15)12-7-11(16)8-20-12/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyURGIRLDIZYJJTR-UHFFFAOYSA-N
MW309.87 g/mol
LogP5.11
Rot. Bonds5

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

2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 79427994) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID79427994
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Cl)cs2)nc(C)c1C(C)C
InChIInChI=1S/C15H20ClN3S/c1-5-6-17-15-13(9(2)3)10(4)18-14(19-15)12-7-11(16)8-20-12/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyURGIRLDIZYJJTR-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.87
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63480516
2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79427543
2-(4-chlorothiophen-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79426456
6-methyl-5-propan-2-yl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 62913276
2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 55194037
2-(4-bromothiophen-2-yl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63481025
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 62915666
2-(5-fluoro-2-pyridinyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713717
4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine
CID 79428080
6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63486822
2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79427323
N-ethyl-6-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 62913834

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 79427994) is 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(Cl)cs2)nc(C)c1C(C)C.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is URGIRLDIZYJJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-5-6-17-15-13(9(2)3)10(4)18-14(19-15)12-7-11(16)8-20-12/h7-9H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 309.87 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79427994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).