2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine

C10H18N4S — CID 116798299

IUPAC2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine
SMILESCCN(CC)CCSc1nccc(N)n1
InChIInChI=1S/C10H18N4S/c1-3-14(4-2)7-8-15-10-12-6-5-9(11)13-10/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13)
InChIKeyDUVQQEXBADXJQZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.49
Rot. Bonds6

About 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine

2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine (PubChem CID 116798299) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine
PubChem CID116798299
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine
SMILESCCN(CC)CCSc1nccc(N)n1
InChIInChI=1S/C10H18N4S/c1-3-14(4-2)7-8-15-10-12-6-5-9(11)13-10/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13)
InChIKeyDUVQQEXBADXJQZ-UHFFFAOYSA-N
XLogP1.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine (CID 116798299) is 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine is CCN(CC)CCSc1nccc(N)n1.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is DUVQQEXBADXJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-14(4-2)7-8-15-10-12-6-5-9(11)13-10/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine?
2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 226.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 116798299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).