N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine

C7H11N3S — CID 76851154

IUPACN,N-dimethyl-4-methylsulfanylpyrimidin-2-amine
SMILESCSc1ccnc(N(C)C)n1
InChIInChI=1S/C7H11N3S/c1-10(2)7-8-5-4-6(9-7)11-3/h4-5H,1-3H3
InChIKeyPKDTYQLYIIUBDT-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.26
Rot. Bonds2

About N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine

N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine (PubChem CID 76851154) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-methylsulfanylpyrimidin-2-amine
PubChem CID76851154
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN,N-dimethyl-4-methylsulfanylpyrimidin-2-amine
SMILESCSc1ccnc(N(C)C)n1
InChIInChI=1S/C7H11N3S/c1-10(2)7-8-5-4-6(9-7)11-3/h4-5H,1-3H3
InChIKeyPKDTYQLYIIUBDT-UHFFFAOYSA-N
XLogP1.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Methylsulfanyl)pyrimidin-4-amine
CID 238575
4-(Methylsulfanyl)pyrimidin-2-amine
CID 238736
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-(Methylsulfanyl)pyrimidine
CID 522772
4,6-Bis(methylthio)pyrimidine
CID 238759
4-Iodo-2-(methylthio)pyrimidine
CID 3858901
2-(Ethylsulfanyl)pyrimidine
CID 12764701
2-Chloro-4-(methylthio)pyrimidine
CID 16427148
2-Bromo-4-(methylsulfanyl)pyrimidine
CID 24939040
4-Pyrimidinamine, 2-(ethylthio)-
CID 565730
Pyrimidine, 2,4-bis(methylthio)-
CID 599004
2-(Methyldithio)Pyrimidine
CID 12278995

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine (CID 76851154) is N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine is CSc1ccnc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine?
The InChIKey is PKDTYQLYIIUBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-10(2)7-8-5-4-6(9-7)11-3/h4-5H,1-3H3.
What are the key properties of N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine?
N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine has a molecular weight of 169.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 76851154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).