N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine

C9H15N3S — CID 80886558

IUPACN-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1nccc(SC(C)C)n1
InChIInChI=1S/C9H15N3S/c1-4-10-9-11-6-5-8(12-9)13-7(2)3/h5-7H,4H2,1-3H3,(H,10,11,12)
InChIKeyHQTQNRUDKQHWMJ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine

N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80886558) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine
PubChem CID80886558
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1nccc(SC(C)C)n1
InChIInChI=1S/C9H15N3S/c1-4-10-9-11-6-5-8(12-9)13-7(2)3/h5-7H,4H2,1-3H3,(H,10,11,12)
InChIKeyHQTQNRUDKQHWMJ-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80886291
N-ethyl-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80891030
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882665
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838892
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80886182
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 104604948
2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557123
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80792942
4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107766037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine (CID 80886558) is N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine is CCNc1nccc(SC(C)C)n1.
What is the InChIKey of N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is HQTQNRUDKQHWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-10-9-11-6-5-8(12-9)13-7(2)3/h5-7H,4H2,1-3H3,(H,10,11,12).
What are the key properties of N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine?
N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80886558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).