4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine

C15H21N5 — CID 64828920

IUPAC4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCN(Cc1cccc(N)c1)c1ccnc(N(C)C)n1
InChIInChI=1S/C15H21N5/c1-4-20(11-12-6-5-7-13(16)10-12)14-8-9-17-15(18-14)19(2)3/h5-10H,4,11,16H2,1-3H3
InChIKeyOWRPXVDTHFLBRE-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.15
Rot. Bonds5

About 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 64828920) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID64828920
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCN(Cc1cccc(N)c1)c1ccnc(N(C)C)n1
InChIInChI=1S/C15H21N5/c1-4-20(11-12-6-5-7-13(16)10-12)14-8-9-17-15(18-14)19(2)3/h5-10H,4,11,16H2,1-3H3
InChIKeyOWRPXVDTHFLBRE-UHFFFAOYSA-N
XLogP2.15
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372842
N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
CID 66320787
4-[(3-aminophenyl)methyl-ethylamino]-1H-pyrimidin-6-one
CID 136979201
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552824
N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
CID 61253794
3-[[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]methyl]benzenecarbothioamide
CID 64830250
3-[(4-chloro-N-ethylanilino)methyl]aniline
CID 143248612
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine
CID 112676261

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 64828920) is 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine is CCN(Cc1cccc(N)c1)c1ccnc(N(C)C)n1.
What is the InChIKey of 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is OWRPXVDTHFLBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-20(11-12-6-5-7-13(16)10-12)14-8-9-17-15(18-14)19(2)3/h5-10H,4,11,16H2,1-3H3.
What are the key properties of 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64828920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).