2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine

C17H25N5 — CID 135105675

IUPAC2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(C)c1ccnc(NCCc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C17H25N5/c1-5-22(4)16-11-13-19-17(20-16)18-12-10-14-6-8-15(9-7-14)21(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,18,19,20)
InChIKeyONOZCXHRIZLTTK-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.65
Rot. Bonds7

About 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine

2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 135105675) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID135105675
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(C)c1ccnc(NCCc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C17H25N5/c1-5-22(4)16-11-13-19-17(20-16)18-12-10-14-6-8-15(9-7-14)21(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,18,19,20)
InChIKeyONOZCXHRIZLTTK-UHFFFAOYSA-N
XLogP2.65
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine
CID 135116152
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887147
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
4-N-butyl-2-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 112900564
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018
4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80778639
4-N-methyl-2-N-(2-phenylethyl)-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 11511463
1-[4-[[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]methyl]phenyl]pyrrolidin-2-one
CID 134714236

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine (CID 135105675) is 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine is CCN(C)c1ccnc(NCCc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is ONOZCXHRIZLTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-5-22(4)16-11-13-19-17(20-16)18-12-10-14-6-8-15(9-7-14)21(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,18,19,20).
What are the key properties of 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135105675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).