2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

C10H13N5S2 — CID 80828387

IUPAC2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCc2nccs2)n1
InChIInChI=1S/C10H13N5S2/c1-16-10-14-7(11)6-8(15-10)12-3-2-9-13-4-5-17-9/h4-6H,2-3H2,1H3,(H3,11,12,14,15)
InChIKeyZVHOQQNDQGSYBH-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.89
Rot. Bonds5

About 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80828387) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80828387
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC Name2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCc2nccs2)n1
InChIInChI=1S/C10H13N5S2/c1-16-10-14-7(11)6-8(15-10)12-3-2-9-13-4-5-17-9/h4-6H,2-3H2,1H3,(H3,11,12,14,15)
InChIKeyZVHOQQNDQGSYBH-UHFFFAOYSA-N
XLogP1.89
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80828387) is 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CSc1nc(N)cc(NCCc2nccs2)n1.
What is the InChIKey of 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ZVHOQQNDQGSYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-16-10-14-7(11)6-8(15-10)12-3-2-9-13-4-5-17-9/h4-6H,2-3H2,1H3,(H3,11,12,14,15).
What are the key properties of 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 267.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80828387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).