2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine

C12H14ClN3S — CID 62482403

IUPAC2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1cc(N(C)C(C)c2cccs2)nc(Cl)n1
InChIInChI=1S/C12H14ClN3S/c1-8-7-11(15-12(13)14-8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3
InChIKeyAZFRSUSIHRKMFM-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.70
Rot. Bonds3

About 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine

2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 62482403) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID62482403
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1cc(N(C)C(C)c2cccs2)nc(Cl)n1
InChIInChI=1S/C12H14ClN3S/c1-8-7-11(15-12(13)14-8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3
InChIKeyAZFRSUSIHRKMFM-UHFFFAOYSA-N
XLogP3.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488087
4-(chloromethyl)-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 114220018
6-hydrazinyl-N,2-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905613
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79072473
2-chloro-5-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79081658
N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 94819136
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80965115
6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80972540
2-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 62308654
2-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905612
2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 112746053
N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81038136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (CID 62482403) is 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is Cc1cc(N(C)C(C)c2cccs2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is AZFRSUSIHRKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-8-7-11(15-12(13)14-8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3.
What are the key properties of 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 267.79 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 62482403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).