2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine

C12H14ClN3S — CID 62480981

IUPAC2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(C)nc(Cl)n1)c1cccs1
InChIInChI=1S/C12H14ClN3S/c1-3-9(10-5-4-6-17-10)15-11-7-8(2)14-12(13)16-11/h4-7,9H,3H2,1-2H3,(H,14,15,16)
InChIKeyFNMJERUNQDFHAY-UHFFFAOYSA-N
MW267.79 g/mol
LogP4.06
Rot. Bonds4

About 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine

2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine (PubChem CID 62480981) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
PubChem CID62480981
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(C)nc(Cl)n1)c1cccs1
InChIInChI=1S/C12H14ClN3S/c1-3-9(10-5-4-6-17-10)15-11-7-8(2)14-12(13)16-11/h4-7,9H,3H2,1-2H3,(H,14,15,16)
InChIKeyFNMJERUNQDFHAY-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79525588
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 62864454
4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
CID 106595404
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine (CID 62480981) is 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine is CCC(Nc1cc(C)nc(Cl)n1)c1cccs1.
What is the InChIKey of 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The InChIKey is FNMJERUNQDFHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-3-9(10-5-4-6-17-10)15-11-7-8(2)14-12(13)16-11/h4-7,9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine has a molecular weight of 267.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 62480981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).