N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine

C23H25N7O2 — CID 161190485

IUPACN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(C)cc(-c2cc3nc(C)cn3c(NCCCc3ccc([N+](=O)[O-])c(N)n3)n2)c1
InChIInChI=1S/C23H25N7O2/c1-14-9-15(2)11-17(10-14)19-12-21-26-16(3)13-29(21)23(28-19)25-8-4-5-18-6-7-20(30(31)32)22(24)27-18/h6-7,9-13H,4-5,8H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyUTQOVBSPSDLKCZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.25
Rot. Bonds7

About N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine

N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 161190485) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID161190485
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(C)cc(-c2cc3nc(C)cn3c(NCCCc3ccc([N+](=O)[O-])c(N)n3)n2)c1
InChIInChI=1S/C23H25N7O2/c1-14-9-15(2)11-17(10-14)19-12-21-26-16(3)13-29(21)23(28-19)25-8-4-5-18-6-7-20(30(31)32)22(24)27-18/h6-7,9-13H,4-5,8H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyUTQOVBSPSDLKCZ-UHFFFAOYSA-N
XLogP4.25
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 147713752
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-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid
CID 157116367
6-N-[2-[[7-[3-(methylsulfanylamino)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 89409855
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59313135
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
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 79816474
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106040897
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 161190485) is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine is Cc1cc(C)cc(-c2cc3nc(C)cn3c(NCCCc3ccc([N+](=O)[O-])c(N)n3)n2)c1.
What is the InChIKey of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is UTQOVBSPSDLKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14-9-15(2)11-17(10-14)19-12-21-26-16(3)13-29(21)23(28-19)25-8-4-5-18-6-7-20(30(31)32)22(24)27-18/h6-7,9-13H,4-5,8H2,1-3H3,(H2,24,27)(H,25,28).
What are the key properties of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine?
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 431.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3,5-dimethylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 161190485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).