N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine

C13H21N3OS — CID 79968693

IUPACN,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CSCCO2)nc(CC)c1C
InChIInChI=1S/C13H21N3OS/c1-4-10-9(3)12(14-5-2)16-13(15-10)11-8-18-7-6-17-11/h11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyXXLZWNHUIWUBKX-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.58
Rot. Bonds4

About N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine

N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (PubChem CID 79968693) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
PubChem CID79968693
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CSCCO2)nc(CC)c1C
InChIInChI=1S/C13H21N3OS/c1-4-10-9(3)12(14-5-2)16-13(15-10)11-8-18-7-6-17-11/h11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyXXLZWNHUIWUBKX-UHFFFAOYSA-N
XLogP2.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (CID 79968693) is N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is CCNc1nc(C2CSCCO2)nc(CC)c1C.
What is the InChIKey of N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The InChIKey is XXLZWNHUIWUBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-10-9(3)12(14-5-2)16-13(15-10)11-8-18-7-6-17-11/h11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79968693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).