6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine

C20H19ClN8O3 — CID 59313135

IUPAC6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
SMILESCOc1ccc(Cl)cc1-c1cc2nccn2c(NCCNc2ccc([N+](=O)[O-])c(N)n2)n1
InChIInChI=1S/C20H19ClN8O3/c1-32-16-4-2-12(21)10-13(16)14-11-18-24-8-9-28(18)20(26-14)25-7-6-23-17-5-3-15(29(30)31)19(22)27-17/h2-5,8-11H,6-7H2,1H3,(H,25,26)(H3,22,23,27)
InChIKeyTZNJECCAIHBAOW-UHFFFAOYSA-N
MW454.88 g/mol
LogP3.47
Rot. Bonds8

About 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine

6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine (PubChem CID 59313135) has the molecular formula C20H19ClN8O3 and a molecular weight of 454.88 g/mol. Its IUPAC name is 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
PubChem CID59313135
Molecular FormulaC20H19ClN8O3
Molecular Weight454.88 g/mol
Exact Mass454.13
IUPAC Name6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
SMILESCOc1ccc(Cl)cc1-c1cc2nccn2c(NCCNc2ccc([N+](=O)[O-])c(N)n2)n1
InChIInChI=1S/C20H19ClN8O3/c1-32-16-4-2-12(21)10-13(16)14-11-18-24-8-9-28(18)20(26-14)25-7-6-23-17-5-3-15(29(30)31)19(22)27-17/h2-5,8-11H,6-7H2,1H3,(H,25,26)(H3,22,23,27)
InChIKeyTZNJECCAIHBAOW-UHFFFAOYSA-N
XLogP3.47
TPSA145.53 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.88
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine
CID 59313084
6-N-[2-[[7-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59313158
1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone
CID 59313115
methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 145476615
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 148789102
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 147713752
N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine
CID 88583483
6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine
CID 162111819
1-[2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethylamino]-4-(2,4-dichlorophenyl)pyrimidin-5-yl]pyrrole-2,5-dione
CID 22143089
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid
CID 157116367

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine (CID 59313135) is 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine is COc1ccc(Cl)cc1-c1cc2nccn2c(NCCNc2ccc([N+](=O)[O-])c(N)n2)n1.
What is the InChIKey of 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine?
The InChIKey is TZNJECCAIHBAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8O3/c1-32-16-4-2-12(21)10-13(16)14-11-18-24-8-9-28(18)20(26-14)25-7-6-23-17-5-3-15(29(30)31)19(22)27-17/h2-5,8-11H,6-7H2,1H3,(H,25,26)(H3,22,23,27).
What are the key properties of 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine?
6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine has a molecular weight of 454.88 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 59313135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).