6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine

C13H15ClN4S — CID 113221054

IUPAC6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)CCc2ccccn2)n1
InChIInChI=1S/C13H15ClN4S/c1-18(8-6-10-5-3-4-7-15-10)12-9-11(14)16-13(17-12)19-2/h3-5,7,9H,6,8H2,1-2H3
InChIKeyUEKAFAJYCZHDCO-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.93
Rot. Bonds5

About 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine

6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine (PubChem CID 113221054) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
PubChem CID113221054
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)CCc2ccccn2)n1
InChIInChI=1S/C13H15ClN4S/c1-18(8-6-10-5-3-4-7-15-10)12-9-11(14)16-13(17-12)19-2/h3-5,7,9H,6,8H2,1-2H3
InChIKeyUEKAFAJYCZHDCO-UHFFFAOYSA-N
XLogP2.93
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80547048
2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80956526
6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546845
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80907218
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
2-cyclopropyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80955502
4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765765
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63960883
5-chloro-N-methyl-6-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 62279474
[2-[methyl(2-pyridin-2-ylethyl)amino]-4-pyridinyl]methanol
CID 61256233
2-N-methyl-2-N-(2-pyridin-2-ylethyl)quinoline-2,6-diamine
CID 43450816

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine (CID 113221054) is 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine is CSc1nc(Cl)cc(N(C)CCc2ccccn2)n1.
What is the InChIKey of 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine?
The InChIKey is UEKAFAJYCZHDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-18(8-6-10-5-3-4-7-15-10)12-9-11(14)16-13(17-12)19-2/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine?
6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine has a molecular weight of 294.81 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 113221054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).