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

C13H16N4O — CID 112636547

IUPAC4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCc2ccccn2)n1
InChIInChI=1S/C13H16N4O/c1-3-18-12-8-10(2)16-13(17-12)15-9-11-6-4-5-7-14-11/h4-8H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyKYMYHJJMLHHGRN-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.19
Rot. Bonds5

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

4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 112636547) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID112636547
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCc2ccccn2)n1
InChIInChI=1S/C13H16N4O/c1-3-18-12-8-10(2)16-13(17-12)15-9-11-6-4-5-7-14-11/h4-8H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyKYMYHJJMLHHGRN-UHFFFAOYSA-N
XLogP2.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919308
4-methyl-6-propan-2-yloxy-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
CID 115974354
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919252
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 112636547) is 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is CCOc1cc(C)nc(NCc2ccccn2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is KYMYHJJMLHHGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-18-12-8-10(2)16-13(17-12)15-9-11-6-4-5-7-14-11/h4-8H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112636547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).