4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine

C14H18N4O — CID 50971979

IUPAC4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(N(C)CCc2ccccn2)n1
InChIInChI=1S/C14H18N4O/c1-3-19-13-7-10-16-14(17-13)18(2)11-8-12-6-4-5-9-15-12/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyRTYFIEUVHNPORL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds6

About 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine

4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine (PubChem CID 50971979) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
PubChem CID50971979
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(N(C)CCc2ccccn2)n1
InChIInChI=1S/C14H18N4O/c1-3-19-13-7-10-16-14(17-13)18(2)11-8-12-6-4-5-9-15-12/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyRTYFIEUVHNPORL-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine (CID 50971979) is 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine is CCOc1ccnc(N(C)CCc2ccccn2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The InChIKey is RTYFIEUVHNPORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-19-13-7-10-16-14(17-13)18(2)11-8-12-6-4-5-9-15-12/h4-7,9-10H,3,8,11H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 50971979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).