4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride

C19H23Cl2N5O2 — CID 120939461

IUPAC4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CCOCC1
InChIInChI=1S/C19H21N5O2.2ClH/c20-13-19(6-10-26-11-7-19)17(25)22-15-4-2-14(3-5-15)16-12-24-9-1-8-21-18(24)23-16;;/h1-5,8-9,12H,6-7,10-11,13,20H2,(H,22,25);2*1H
InChIKeyWZSOLOUSAHHLEN-UHFFFAOYSA-N
MW424.33 g/mol
LogP2.93
Rot. Bonds4

About 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride (PubChem CID 120939461) has the molecular formula C19H23Cl2N5O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride
PubChem CID120939461
Molecular FormulaC19H23Cl2N5O2
Molecular Weight424.33 g/mol
Exact Mass423.12
IUPAC Name4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CCOCC1
InChIInChI=1S/C19H21N5O2.2ClH/c20-13-19(6-10-26-11-7-19)17(25)22-15-4-2-14(3-5-15)16-12-24-9-1-8-21-18(24)23-16;;/h1-5,8-9,12H,6-7,10-11,13,20H2,(H,22,25);2*1H
InChIKeyWZSOLOUSAHHLEN-UHFFFAOYSA-N
XLogP2.93
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939893
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide
CID 120941121
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55826797
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939459
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide
CID 122285268
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-naphthalen-1-ylacetamide
CID 122285628
4-(aminomethyl)-N-[4-(1H-benzimidazol-2-yl)phenyl]oxane-4-carboxamide
CID 120937714
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56512925

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride (CID 120939461) is 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride?
The InChIKey is WZSOLOUSAHHLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.2ClH/c20-13-19(6-10-26-11-7-19)17(25)22-15-4-2-14(3-5-15)16-12-24-9-1-8-21-18(24)23-16;;/h1-5,8-9,12H,6-7,10-11,13,20H2,(H,22,25);2*1H.
What are the key properties of 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride has a molecular weight of 424.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120939461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).