N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine

C21H21N7O2 — CID 147713752

IUPACN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1ccc(-c2cc3nccn3c(NCCCc3ccc([N+](=O)[O-])c(N)n3)n2)cc1
InChIInChI=1S/C21H21N7O2/c1-14-4-6-15(7-5-14)17-13-19-23-11-12-27(19)21(26-17)24-10-2-3-16-8-9-18(28(29)30)20(22)25-16/h4-9,11-13H,2-3,10H2,1H3,(H2,22,25)(H,24,26)
InChIKeyGVFJKZIWHJIQKC-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.63
Rot. Bonds7

About N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine

N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 147713752) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID147713752
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC NameN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1ccc(-c2cc3nccn3c(NCCCc3ccc([N+](=O)[O-])c(N)n3)n2)cc1
InChIInChI=1S/C21H21N7O2/c1-14-4-6-15(7-5-14)17-13-19-23-11-12-27(19)21(26-17)24-10-2-3-16-8-9-18(28(29)30)20(22)25-16/h4-9,11-13H,2-3,10H2,1H3,(H2,22,25)(H,24,26)
InChIKeyGVFJKZIWHJIQKC-UHFFFAOYSA-N
XLogP3.63
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine (CID 147713752) is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine is Cc1ccc(-c2cc3nccn3c(NCCCc3ccc([N+](=O)[O-])c(N)n3)n2)cc1.
What is the InChIKey of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is GVFJKZIWHJIQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-14-4-6-15(7-5-14)17-13-19-23-11-12-27(19)21(26-17)24-10-2-3-16-8-9-18(28(29)30)20(22)25-16/h4-9,11-13H,2-3,10H2,1H3,(H2,22,25)(H,24,26).
What are the key properties of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 403.45 g/mol, XLogP of 3.63, 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-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 147713752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).