(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine

C13H17N5S — CID 80996244

IUPAC(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Sc1ccncc1
InChIInChI=1S/C13H17N5S/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-10-4-6-15-7-5-10/h4-8H,14H2,1-3H3,(H,16,17,18)
InChIKeyAOFQNNIDGFVILD-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.74
Rot. Bonds4

About (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine

(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80996244) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80996244
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Sc1ccncc1
InChIInChI=1S/C13H17N5S/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-10-4-6-15-7-5-10/h4-8H,14H2,1-3H3,(H,16,17,18)
InChIKeyAOFQNNIDGFVILD-UHFFFAOYSA-N
XLogP2.74
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 1253709
2-Pyridin-4-ylsulfanylpyrimidine
CID 118723746
2-Methyl-4-methylsulfanyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
CID 14022913
6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 44590975
6-propan-2-yl-N-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 44590976
2,5,6-trimethyl-N-[2-(pyridin-2-ylthio)ethyl]pyrimidin-4-amine
CID 72922153
4-Methyl-6-(pyridin-2-ylsulfanyl)pyrimidin-2-amine
CID 612506
2-Methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile
CID 2801141
2-Methyl-6-methylsulfanyl-5-pyridin-2-ylpyrimidin-4-amine
CID 14273139
5-fluoro-6-hydrazino-N,2-dimethyl-N-(4-pyridinylmethyl)-4-pyrimidinamine
CID 66936110
5-fluoro-6-hydrazino-N,2-dimethyl-N-[2-(4-pyridinyl)ethyl]-4-pyrimidinamine
CID 66936254
1-[6-[3-(5-Methylpyrimidin-2-yl)propylsulfanyl]-2-pyridinyl]-2-(2,2,2-trifluoroethyl)guanidine
CID 70475146

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (CID 80996244) is (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is Cc1c(NN)nc(C(C)C)nc1Sc1ccncc1.
What is the InChIKey of (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is AOFQNNIDGFVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-10-4-6-15-7-5-10/h4-8H,14H2,1-3H3,(H,16,17,18).
What are the key properties of (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 275.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80996244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).