6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine

C11H13N5O — CID 114111488

IUPAC6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCc2ccncn2)ncn1
InChIInChI=1S/C11H13N5O/c1-2-17-11-5-10(15-8-16-11)13-6-9-3-4-12-7-14-9/h3-5,7-8H,2,6H2,1H3,(H,13,15,16)
InChIKeyAILXRCCAVRGANT-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.28
Rot. Bonds5

About 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine

6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 114111488) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
PubChem CID114111488
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCc2ccncn2)ncn1
InChIInChI=1S/C11H13N5O/c1-2-17-11-5-10(15-8-16-11)13-6-9-3-4-12-7-14-9/h3-5,7-8H,2,6H2,1H3,(H,13,15,16)
InChIKeyAILXRCCAVRGANT-UHFFFAOYSA-N
XLogP1.28
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine (CID 114111488) is 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine is CCOc1cc(NCc2ccncn2)ncn1.
What is the InChIKey of 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is AILXRCCAVRGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-17-11-5-10(15-8-16-11)13-6-9-3-4-12-7-14-9/h3-5,7-8H,2,6H2,1H3,(H,13,15,16).
What are the key properties of 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine?
6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 231.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 114111488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).