2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine

C9H13N7S — CID 61297516

IUPAC2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine
SMILESCc1nn(C)c(Sc2nc(N)cc(N)n2)c1N
InChIInChI=1S/C9H13N7S/c1-4-7(12)8(16(2)15-4)17-9-13-5(10)3-6(11)14-9/h3H,12H2,1-2H3,(H4,10,11,13,14)
InChIKeyCQZJVPWRINRPRF-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.42
Rot. Bonds2

About 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine

2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine (PubChem CID 61297516) has the molecular formula C9H13N7S and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine
PubChem CID61297516
Molecular FormulaC9H13N7S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine
SMILESCc1nn(C)c(Sc2nc(N)cc(N)n2)c1N
InChIInChI=1S/C9H13N7S/c1-4-7(12)8(16(2)15-4)17-9-13-5(10)3-6(11)14-9/h3H,12H2,1-2H3,(H4,10,11,13,14)
InChIKeyCQZJVPWRINRPRF-UHFFFAOYSA-N
XLogP0.42
TPSA121.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine (CID 61297516) is 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine is Cc1nn(C)c(Sc2nc(N)cc(N)n2)c1N.
What is the InChIKey of 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is CQZJVPWRINRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S/c1-4-7(12)8(16(2)15-4)17-9-13-5(10)3-6(11)14-9/h3H,12H2,1-2H3,(H4,10,11,13,14).
What are the key properties of 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine?
2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 251.32 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 61297516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).