N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine

C16H22N4 — CID 114476642

IUPACN-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
SMILESCc1ncc(N(Cc2ccc(N)cc2)C(C)C)nc1C
InChIInChI=1S/C16H22N4/c1-11(2)20(10-14-5-7-15(17)8-6-14)16-9-18-12(3)13(4)19-16/h5-9,11H,10,17H2,1-4H3
InChIKeyGVUKPRBZSGJQDM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.09
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine

N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine (PubChem CID 114476642) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
PubChem CID114476642
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
SMILESCc1ncc(N(Cc2ccc(N)cc2)C(C)C)nc1C
InChIInChI=1S/C16H22N4/c1-11(2)20(10-14-5-7-15(17)8-6-14)16-9-18-12(3)13(4)19-16/h5-9,11H,10,17H2,1-4H3
InChIKeyGVUKPRBZSGJQDM-UHFFFAOYSA-N
XLogP3.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476643
N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869637
4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829117
2-[(5,6-dimethylpyrazin-2-yl)-propan-2-ylamino]ethanol
CID 114476739
N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine
CID 61239410
N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 60875705
N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine
CID 115993964
4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979223
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
4-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881504
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine (CID 114476642) is N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine is Cc1ncc(N(Cc2ccc(N)cc2)C(C)C)nc1C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine?
The InChIKey is GVUKPRBZSGJQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)20(10-14-5-7-15(17)8-6-14)16-9-18-12(3)13(4)19-16/h5-9,11H,10,17H2,1-4H3.
What are the key properties of N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine?
N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 114476642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).