4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine

C13H16N4 — CID 114206914

IUPAC4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine
SMILESCCNCc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-2-14-10-12-8-9-15-13(17-12)16-11-6-4-3-5-7-11/h3-9,14H,2,10H2,1H3,(H,15,16,17)
InChIKeyMPKWYLCRTZEWEN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.33
Rot. Bonds5

About 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine

4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine (PubChem CID 114206914) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine
PubChem CID114206914
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine
SMILESCCNCc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-2-14-10-12-8-9-15-13(17-12)16-11-6-4-3-5-7-11/h3-9,14H,2,10H2,1H3,(H,15,16,17)
InChIKeyMPKWYLCRTZEWEN-UHFFFAOYSA-N
XLogP2.33
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-anilinopyrimidin-4-yl)propan-1-one
CID 10198463
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 115534303
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 104609503
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
2-anilinopyrimidine-4-carbonitrile
CID 19392543
N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine
CID 46785098
4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one
CID 69060917

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine (CID 114206914) is 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine is CCNCc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine?
The InChIKey is MPKWYLCRTZEWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-14-10-12-8-9-15-13(17-12)16-11-6-4-3-5-7-11/h3-9,14H,2,10H2,1H3,(H,15,16,17).
What are the key properties of 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine?
4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 114206914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).