4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine

C13H16N4 — CID 113231864

IUPAC4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1ccc(CNc2cc(N)ncn2)cc1
InChIInChI=1S/C13H16N4/c1-2-10-3-5-11(6-4-10)8-15-13-7-12(14)16-9-17-13/h3-7,9H,2,8H2,1H3,(H3,14,15,16,17)
InChIKeyNMPOBQVUJAZBDZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.23
Rot. Bonds4

About 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine

4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 113231864) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID113231864
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1ccc(CNc2cc(N)ncn2)cc1
InChIInChI=1S/C13H16N4/c1-2-10-3-5-11(6-4-10)8-15-13-7-12(14)16-9-17-13/h3-7,9H,2,8H2,1H3,(H3,14,15,16,17)
InChIKeyNMPOBQVUJAZBDZ-UHFFFAOYSA-N
XLogP2.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzylpyrimidine-4,6-diamine
CID 3031503
4-N-[(3-ethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 115612215
2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
CID 106899259
4-N-[[4-(1-pyrazol-1-ylpropyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 171090311
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
2-[(4-ethylphenyl)methylamino]pyridine-4-carbothioamide
CID 106899895
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 62502673
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80917172
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855351
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232280

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine (CID 113231864) is 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine is CCc1ccc(CNc2cc(N)ncn2)cc1.
What is the InChIKey of 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is NMPOBQVUJAZBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-10-3-5-11(6-4-10)8-15-13-7-12(14)16-9-17-13/h3-7,9H,2,8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine?
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 113231864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).