6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

C11H16N6S — CID 80809600

IUPAC6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCn2cccn2)nc(SC)n1
InChIInChI=1S/C11H16N6S/c1-12-9-8-10(16-11(15-9)18-2)13-5-7-17-6-3-4-14-17/h3-4,6,8H,5,7H2,1-2H3,(H2,12,13,15,16)
InChIKeyUPHMXVBMIMCLFT-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.55
Rot. Bonds6

About 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80809600) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID80809600
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCn2cccn2)nc(SC)n1
InChIInChI=1S/C11H16N6S/c1-12-9-8-10(16-11(15-9)18-2)13-5-7-17-6-3-4-14-17/h3-4,6,8H,5,7H2,1-2H3,(H2,12,13,15,16)
InChIKeyUPHMXVBMIMCLFT-UHFFFAOYSA-N
XLogP1.55
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-N-methyl-2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809780
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
6-N-methyl-2-methylsulfanyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80765777
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80753527
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine (CID 80809600) is 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine is CNc1cc(NCCn2cccn2)nc(SC)n1.
What is the InChIKey of 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is UPHMXVBMIMCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-12-9-8-10(16-11(15-9)18-2)13-5-7-17-6-3-4-14-17/h3-4,6,8H,5,7H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80809600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).