6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine

C12H14ClN3S — CID 107361034

IUPAC6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2sccc2Cl)nc(C)n1
InChIInChI=1S/C12H14ClN3S/c1-3-5-14-11-7-10(15-8(2)16-11)12-9(13)4-6-17-12/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyRPBOOBMOIAQISY-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.99
Rot. Bonds4

About 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine

6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 107361034) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID107361034
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2sccc2Cl)nc(C)n1
InChIInChI=1S/C12H14ClN3S/c1-3-5-14-11-7-10(15-8(2)16-11)12-9(13)4-6-17-12/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyRPBOOBMOIAQISY-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 107361117
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 107361052
2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851272
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine (CID 107361034) is 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2sccc2Cl)nc(C)n1.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is RPBOOBMOIAQISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-3-5-14-11-7-10(15-8(2)16-11)12-9(13)4-6-17-12/h4,6-7H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine?
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 267.78 g/mol, XLogP of 3.99, 4 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)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107361034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).