2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine

C9H13N3S2 — CID 139882650

IUPAC2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C2CC2)nc(SC)c1N
InChIInChI=1S/C9H13N3S2/c1-13-8-6(10)9(14-2)12-7(11-8)5-3-4-5/h5H,3-4,10H2,1-2H3
InChIKeyGQYLINYNVJQWOT-UHFFFAOYSA-N
MW227.36 g/mol
LogP2.38
Rot. Bonds3

About 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine

2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine (PubChem CID 139882650) has the molecular formula C9H13N3S2 and a molecular weight of 227.36 g/mol. Its IUPAC name is 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
PubChem CID139882650
Molecular FormulaC9H13N3S2
Molecular Weight227.36 g/mol
Exact Mass227.06
IUPAC Name2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C2CC2)nc(SC)c1N
InChIInChI=1S/C9H13N3S2/c1-13-8-6(10)9(14-2)12-7(11-8)5-3-4-5/h5H,3-4,10H2,1-2H3
InChIKeyGQYLINYNVJQWOT-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
2,6-Bis(isobutylthio)pyrimidine-4,5-diamine
CID 135397808
5-Pyrimidinamine, 2-methyl-4,6-bis(methylthio)-
CID 10726765
2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 12893580
4,6-Bis(hexylsulfanyl)-2-methylpyrimidin-5-amine
CID 20085320
4-N,4-N-diethyl-2-methyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 20085410
N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 20545082
2,4,6-Tris(methylsulfanyl)pyrimidin-5-amine
CID 22592215

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The IUPAC name of 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine (CID 139882650) is 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine.
What is the SMILES notation for 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The canonical SMILES for 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine is CSc1nc(C2CC2)nc(SC)c1N.
What is the InChIKey of 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The InChIKey is GQYLINYNVJQWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S2/c1-13-8-6(10)9(14-2)12-7(11-8)5-3-4-5/h5H,3-4,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine has a molecular weight of 227.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine is sourced from PubChem (CID 139882650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).