7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine

C19H14N4O2 — CID 20806064

IUPAC7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
SMILESc1ccc(Nc2nc(-c3ccc4c(c3)OCO4)cc3nccn23)cc1
InChIInChI=1S/C19H14N4O2/c1-2-4-14(5-3-1)21-19-22-15(11-18-20-8-9-23(18)19)13-6-7-16-17(10-13)25-12-24-16/h1-11H,12H2,(H,21,22)
InChIKeyIIXCGWIHDGBAOU-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.87
Rot. Bonds3

About 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine

7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 20806064) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID20806064
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
SMILESc1ccc(Nc2nc(-c3ccc4c(c3)OCO4)cc3nccn23)cc1
InChIInChI=1S/C19H14N4O2/c1-2-4-14(5-3-1)21-19-22-15(11-18-20-8-9-23(18)19)13-6-7-16-17(10-13)25-12-24-16/h1-11H,12H2,(H,21,22)
InChIKeyIIXCGWIHDGBAOU-UHFFFAOYSA-N
XLogP3.87
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[[7-(1,3-benzodioxol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 25061937
4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
CID 11623230
5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
CID 20806083
3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide
CID 59298993
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N,6-diphenylpyrimidine-2,4-diamine
CID 112937087
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
methyl 5-(1,3-benzodioxol-5-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29092222
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine
CID 21066363
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole
CID 10087230

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine (CID 20806064) is 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine is c1ccc(Nc2nc(-c3ccc4c(c3)OCO4)cc3nccn23)cc1.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is IIXCGWIHDGBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-2-4-14(5-3-1)21-19-22-15(11-18-20-8-9-23(18)19)13-6-7-16-17(10-13)25-12-24-16/h1-11H,12H2,(H,21,22).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine?
7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 330.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 20806064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).