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

C14H16ClN3S — CID 80547048

IUPAC6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C14H16ClN3S/c1-18(9-8-11-6-4-3-5-7-11)13-10-12(15)16-14(17-13)19-2/h3-7,10H,8-9H2,1-2H3
InChIKeyUQTYQQRAYGZXMQ-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.53
Rot. Bonds5

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

6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 80547048) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID80547048
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C14H16ClN3S/c1-18(9-8-11-6-4-3-5-7-11)13-10-12(15)16-14(17-13)19-2/h3-7,10H,8-9H2,1-2H3
InChIKeyUQTYQQRAYGZXMQ-UHFFFAOYSA-N
XLogP3.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 113221054
6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546845
6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 112724532
6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546756
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
methyl 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]acetate
CID 3321692
3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-phenylethyl)benzamide
CID 3931248
6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767255
N-benzyl-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4539621
4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80847357
6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80545395

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine (CID 80547048) is 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine is CSc1nc(Cl)cc(N(C)CCc2ccccc2)n1.
What is the InChIKey of 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is UQTYQQRAYGZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-18(9-8-11-6-4-3-5-7-11)13-10-12(15)16-14(17-13)19-2/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine?
6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 293.82 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80547048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).