6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine

C8H10N6S — CID 80892034

IUPAC6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
SMILESCn1cc(Sc2cc(N)nc(N)n2)cn1
InChIInChI=1S/C8H10N6S/c1-14-4-5(3-11-14)15-7-2-6(9)12-8(10)13-7/h2-4H,1H3,(H4,9,10,12,13)
InChIKeyVQNDJNFQQQQWKB-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.53
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine

6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine (PubChem CID 80892034) has the molecular formula C8H10N6S and a molecular weight of 222.28 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
PubChem CID80892034
Molecular FormulaC8H10N6S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
SMILESCn1cc(Sc2cc(N)nc(N)n2)cn1
InChIInChI=1S/C8H10N6S/c1-14-4-5(3-11-14)15-7-2-6(9)12-8(10)13-7/h2-4H,1H3,(H4,9,10,12,13)
InChIKeyVQNDJNFQQQQWKB-UHFFFAOYSA-N
XLogP0.53
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384658
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384655
N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80891727
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine
CID 61385318
3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine
CID 115000407
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566792
3-amino-5-(1-methylpyrazol-4-yl)sulfanylbenzenesulfonamide
CID 61384619
5-methyl-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine
CID 66280911
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
4-bromo-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 65342219

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine (CID 80892034) is 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine is Cn1cc(Sc2cc(N)nc(N)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine?
The InChIKey is VQNDJNFQQQQWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S/c1-14-4-5(3-11-14)15-7-2-6(9)12-8(10)13-7/h2-4H,1H3,(H4,9,10,12,13).
What are the key properties of 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine?
6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine has a molecular weight of 222.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 80892034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).