6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine

C13H17N5 — CID 133460950

IUPAC6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2cnccn2)nc(C)n1
InChIInChI=1S/C13H17N5/c1-4-11-7-13(17-10(2)16-11)18(3)9-12-8-14-5-6-15-12/h5-8H,4,9H2,1-3H3
InChIKeyIQDHOCMDUJSUNE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.77
Rot. Bonds4

About 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine

6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 133460950) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
PubChem CID133460950
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2cnccn2)nc(C)n1
InChIInChI=1S/C13H17N5/c1-4-11-7-13(17-10(2)16-11)18(3)9-12-8-14-5-6-15-12/h5-8H,4,9H2,1-3H3
InChIKeyIQDHOCMDUJSUNE-UHFFFAOYSA-N
XLogP1.77
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine (CID 133460950) is 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine is CCc1cc(N(C)Cc2cnccn2)nc(C)n1.
What is the InChIKey of 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is IQDHOCMDUJSUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-4-11-7-13(17-10(2)16-11)18(3)9-12-8-14-5-6-15-12/h5-8H,4,9H2,1-3H3.
What are the key properties of 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 133460950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).