2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline

C13H15N3 — CID 82471035

IUPAC2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
SMILESCc1ccnc(CCc2ccccc2N)n1
InChIInChI=1S/C13H15N3/c1-10-8-9-15-13(16-10)7-6-11-4-2-3-5-12(11)14/h2-5,8-9H,6-7,14H2,1H3
InChIKeyPVQNBKPBGDAXRB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.15
Rot. Bonds3

About 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline

2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline (PubChem CID 82471035) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
PubChem CID82471035
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
SMILESCc1ccnc(CCc2ccccc2N)n1
InChIInChI=1S/C13H15N3/c1-10-8-9-15-13(16-10)7-6-11-4-2-3-5-12(11)14/h2-5,8-9H,6-7,14H2,1H3
InChIKeyPVQNBKPBGDAXRB-UHFFFAOYSA-N
XLogP2.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
CID 82474120
2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62497444
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 62268189
4-methyl-2-[(2-methylphenyl)methyl]pyrimidine
CID 21028246
2-[2-(1,2,4-benzotriazin-3-yl)ethyl]aniline
CID 82480894
2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82480085
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82472251
2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 107273867
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
2-(bromomethyl)-4-methylpyrimidine
CID 86070948
2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline
CID 82469557
4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
CID 1046861

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline (CID 82471035) is 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline is Cc1ccnc(CCc2ccccc2N)n1.
What is the InChIKey of 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline?
The InChIKey is PVQNBKPBGDAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-8-9-15-13(16-10)7-6-11-4-2-3-5-12(11)14/h2-5,8-9H,6-7,14H2,1H3.
What are the key properties of 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline?
2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline has a molecular weight of 213.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline is sourced from PubChem (CID 82471035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).