2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine

C14H18N4 — CID 80656838

IUPAC2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
SMILESCCN(Cc1nc(C)cc(N)n1)c1ccccc1
InChIInChI=1S/C14H18N4/c1-3-18(12-7-5-4-6-8-12)10-14-16-11(2)9-13(15)17-14/h4-9H,3,10H2,1-2H3,(H2,15,16,17)
InChIKeyUOYXKMVDCCIACH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.39
Rot. Bonds4

About 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine

2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80656838) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
PubChem CID80656838
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
SMILESCCN(Cc1nc(C)cc(N)n1)c1ccccc1
InChIInChI=1S/C14H18N4/c1-3-18(12-7-5-4-6-8-12)10-14-16-11(2)9-13(15)17-14/h4-9H,3,10H2,1-2H3,(H2,15,16,17)
InChIKeyUOYXKMVDCCIACH-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine (CID 80656838) is 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine is CCN(Cc1nc(C)cc(N)n1)c1ccccc1.
What is the InChIKey of 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is UOYXKMVDCCIACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-18(12-7-5-4-6-8-12)10-14-16-11(2)9-13(15)17-14/h4-9H,3,10H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine?
2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80656838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).