6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine

C12H18N6S — CID 80888805

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Sc2cc(C)nn2C)nc(N)n1
InChIInChI=1S/C12H18N6S/c1-4-5-14-9-7-10(16-12(13)15-9)19-11-6-8(2)17-18(11)3/h6-7H,4-5H2,1-3H3,(H3,13,14,15,16)
InChIKeyUQTYIHHSWGFPLZ-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.07
Rot. Bonds5

About 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80888805) has the molecular formula C12H18N6S and a molecular weight of 278.39 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID80888805
Molecular FormulaC12H18N6S
Molecular Weight278.39 g/mol
Exact Mass278.13
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Sc2cc(C)nn2C)nc(N)n1
InChIInChI=1S/C12H18N6S/c1-4-5-14-9-7-10(16-12(13)15-9)19-11-6-8(2)17-18(11)3/h6-7H,4-5H2,1-3H3,(H3,13,14,15,16)
InChIKeyUQTYIHHSWGFPLZ-UHFFFAOYSA-N
XLogP2.07
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888807
4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine
CID 80887611
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 80963065
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80892286
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80807651
5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62885838
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963164
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80883124
4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
CID 80892050
6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80890105
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80856846

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine (CID 80888805) is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(Sc2cc(C)nn2C)nc(N)n1.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is UQTYIHHSWGFPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-4-5-14-9-7-10(16-12(13)15-9)19-11-6-8(2)17-18(11)3/h6-7H,4-5H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine?
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 278.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80888805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).