N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine

C11H19N3S2 — CID 14141458

IUPACN,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine
SMILESCCN(CC)c1nc(SC)nc(SC)c1C
InChIInChI=1S/C11H19N3S2/c1-6-14(7-2)9-8(3)10(15-4)13-11(12-9)16-5/h6-7H2,1-5H3
InChIKeyMWNVJPUNXLLDEX-UHFFFAOYSA-N
MW257.43 g/mol
LogP3.08
Rot. Bonds5

About N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine

N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine (PubChem CID 14141458) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine
PubChem CID14141458
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine
SMILESCCN(CC)c1nc(SC)nc(SC)c1C
InChIInChI=1S/C11H19N3S2/c1-6-14(7-2)9-8(3)10(15-4)13-11(12-9)16-5/h6-7H2,1-5H3
InChIKeyMWNVJPUNXLLDEX-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine (CID 14141458) is N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine is CCN(CC)c1nc(SC)nc(SC)c1C.
What is the InChIKey of N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine?
The InChIKey is MWNVJPUNXLLDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-6-14(7-2)9-8(3)10(15-4)13-11(12-9)16-5/h6-7H2,1-5H3.
What are the key properties of N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine?
N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine has a molecular weight of 257.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 14141458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).