2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine

C19H18Cl2N8 — CID 71065495

IUPAC2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine
SMILESCc1nc2cc(-c3ccc(Cl)cc3Cl)nc(NCCNc3ccc(N)cn3)n2n1
InChIInChI=1S/C19H18Cl2N8/c1-11-26-18-9-16(14-4-2-12(20)8-15(14)21)27-19(29(18)28-11)24-7-6-23-17-5-3-13(22)10-25-17/h2-5,8-10H,6-7,22H2,1H3,(H,23,25)(H,24,27)
InChIKeyMSZTYOCITMWSLF-UHFFFAOYSA-N
MW429.32 g/mol
LogP3.91
Rot. Bonds6

About 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine

2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine (PubChem CID 71065495) has the molecular formula C19H18Cl2N8 and a molecular weight of 429.32 g/mol. Its IUPAC name is 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine
PubChem CID71065495
Molecular FormulaC19H18Cl2N8
Molecular Weight429.32 g/mol
Exact Mass428.10
IUPAC Name2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine
SMILESCc1nc2cc(-c3ccc(Cl)cc3Cl)nc(NCCNc3ccc(N)cn3)n2n1
InChIInChI=1S/C19H18Cl2N8/c1-11-26-18-9-16(14-4-2-12(20)8-15(14)21)27-19(29(18)28-11)24-7-6-23-17-5-3-13(22)10-25-17/h2-5,8-10H,6-7,22H2,1H3,(H,23,25)(H,24,27)
InChIKeyMSZTYOCITMWSLF-UHFFFAOYSA-N
XLogP3.91
TPSA106.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[2-[[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]-2,2,2-trifluoroethanone
CID 71261763
2-amino-6-[2-[[7-(2,4-dichlorophenyl)-2-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 59313033
6-[2-[[2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 59313101
6-N-[2-[[2-[1-(cyclopropylmethyl)piperidin-4-yl]-7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]-3-(methyliminomethyl)pyridine-2,6-diamine
CID 163499034
1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone
CID 59313115
6-[2-[[7-(4-chloro-2-hydroxyphenyl)-2-(morpholine-4-carbonyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 145476592
methyl 2-amino-6-[2-[[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carboxylate;1,1,1-trifluoropropan-2-one
CID 145476622
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 59313163
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide
CID 59312928
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 140990710
4-amino-2-[2-[[7-(2,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazole-5-carbonitrile
CID 59312967
1-[2-[2-[(5-amino-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-1,2-dihydropyrimidin-5-yl]-5-chloropyridin-2-one
CID 163944831

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine (CID 71065495) is 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine is Cc1nc2cc(-c3ccc(Cl)cc3Cl)nc(NCCNc3ccc(N)cn3)n2n1.
What is the InChIKey of 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine?
The InChIKey is MSZTYOCITMWSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N8/c1-11-26-18-9-16(14-4-2-12(20)8-15(14)21)27-19(29(18)28-11)24-7-6-23-17-5-3-13(22)10-25-17/h2-5,8-10H,6-7,22H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine?
2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine has a molecular weight of 429.32 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 71065495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).