4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine

C19H23N7 — CID 174852539

IUPAC4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(-c2cc(NCCNc3ccc(N)nc3)nc(N)n2)c1
InChIInChI=1S/C19H23N7/c1-12-7-13(2)9-14(8-12)16-10-18(26-19(21)25-16)23-6-5-22-15-3-4-17(20)24-11-15/h3-4,7-11,22H,5-6H2,1-2H3,(H2,20,24)(H3,21,23,25,26)
InChIKeyLRLHFKJYYHRFQM-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.84
Rot. Bonds6

About 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine

4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 174852539) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID174852539
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(-c2cc(NCCNc3ccc(N)nc3)nc(N)n2)c1
InChIInChI=1S/C19H23N7/c1-12-7-13(2)9-14(8-12)16-10-18(26-19(21)25-16)23-6-5-22-15-3-4-17(20)24-11-15/h3-4,7-11,22H,5-6H2,1-2H3,(H2,20,24)(H3,21,23,25,26)
InChIKeyLRLHFKJYYHRFQM-UHFFFAOYSA-N
XLogP2.84
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174775661
4-N-(4-aminobutyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174851741
6-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-sulfonamide
CID 174852454
5-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-sulfonamide
CID 175308496
2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide
CID 174851783
3-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl 4-sulfamoylbenzenesulfonate
CID 174933868
6-(3,5-dimethylphenyl)-4-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 174775657
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
4-N-(3-aminopropyl)-6-phenylpyrimidine-2,4-diamine
CID 130209355
6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 174933873
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681479
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine (CID 174852539) is 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine is Cc1cc(C)cc(-c2cc(NCCNc3ccc(N)nc3)nc(N)n2)c1.
What is the InChIKey of 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LRLHFKJYYHRFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-12-7-13(2)9-14(8-12)16-10-18(26-19(21)25-16)23-6-5-22-15-3-4-17(20)24-11-15/h3-4,7-11,22H,5-6H2,1-2H3,(H2,20,24)(H3,21,23,25,26).
What are the key properties of 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 349.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174852539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).