2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

C14H17N5S — CID 80964212

IUPAC2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCc1nc(Sc2cc(N)nc(C3CC3)n2)nc(C)c1C
InChIInChI=1S/C14H17N5S/c1-7-8(2)16-14(17-9(7)3)20-12-6-11(15)18-13(19-12)10-4-5-10/h6,10H,4-5H2,1-3H3,(H2,15,18,19)
InChIKeyUIZNVPFRJHJELC-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.80
Rot. Bonds3

About 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (PubChem CID 80964212) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
PubChem CID80964212
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCc1nc(Sc2cc(N)nc(C3CC3)n2)nc(C)c1C
InChIInChI=1S/C14H17N5S/c1-7-8(2)16-14(17-9(7)3)20-12-6-11(15)18-13(19-12)10-4-5-10/h6,10H,4-5H2,1-3H3,(H2,15,18,19)
InChIKeyUIZNVPFRJHJELC-UHFFFAOYSA-N
XLogP2.80
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80890698
6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine
CID 80963140
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine
CID 115479558
6-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 62192253
2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine
CID 122238988
3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 80964672
4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 79176193
6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65400159
(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979379
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80545968
2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80963439
[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 80929796

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (CID 80964212) is 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is Cc1nc(Sc2cc(N)nc(C3CC3)n2)nc(C)c1C.
What is the InChIKey of 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The InChIKey is UIZNVPFRJHJELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-7-8(2)16-14(17-9(7)3)20-12-6-11(15)18-13(19-12)10-4-5-10/h6,10H,4-5H2,1-3H3,(H2,15,18,19).
What are the key properties of 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80964212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).