6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C14H18N4O — CID 86797677

IUPAC6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(N(CC)Cc2ccccn2)ncn1
InChIInChI=1S/C14H18N4O/c1-3-18(10-12-7-5-6-8-15-12)13-9-14(19-4-2)17-11-16-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeySQTIWGDIJIYUTI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds6

About 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 86797677) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID86797677
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(N(CC)Cc2ccccn2)ncn1
InChIInChI=1S/C14H18N4O/c1-3-18(10-12-7-5-6-8-15-12)13-9-14(19-4-2)17-11-16-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeySQTIWGDIJIYUTI-UHFFFAOYSA-N
XLogP2.30
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 86797677) is 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCOc1cc(N(CC)Cc2ccccn2)ncn1.
What is the InChIKey of 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is SQTIWGDIJIYUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18(10-12-7-5-6-8-15-12)13-9-14(19-4-2)17-11-16-13/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 86797677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).