8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine

C19H14F2IN5 — CID 146266687

IUPAC8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C(F)(F)I)n1
InChIInChI=1S/C19H14F2IN5/c1-11-9-13(10-14(25-11)19(20,21)22)15-16(12-5-3-2-4-6-12)26-18(23)27-8-7-24-17(15)27/h2-10H,1H3,(H2,23,26)
InChIKeyQVCWTWPJWJLCHK-UHFFFAOYSA-N
MW477.26 g/mol
LogP4.83
Rot. Bonds3

About 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine

8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 146266687) has the molecular formula C19H14F2IN5 and a molecular weight of 477.26 g/mol. Its IUPAC name is 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID146266687
Molecular FormulaC19H14F2IN5
Molecular Weight477.26 g/mol
Exact Mass477.03
IUPAC Name8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C(F)(F)I)n1
InChIInChI=1S/C19H14F2IN5/c1-11-9-13(10-14(25-11)19(20,21)22)15-16(12-5-3-2-4-6-12)26-18(23)27-8-7-24-17(15)27/h2-10H,1H3,(H2,23,26)
InChIKeyQVCWTWPJWJLCHK-UHFFFAOYSA-N
XLogP4.83
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.26
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 46220502
CID 46220502
CID 1530
CID 1530
CID 49971
CID 49971
CID 53262401
CID 53262401
CID 5164
CID 5164
CID 5172
CID 5172
CID 51371303
CID 51371303
CID 51049607
CID 51049607
CID 104954
CID 104954
CID 9806182
CID 9806182
CID 667720
CID 667720
CID 821089
CID 821089

Frequently Asked Questions

What is the IUPAC name of 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine (CID 146266687) is 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C(F)(F)I)n1.
What is the InChIKey of 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is QVCWTWPJWJLCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2IN5/c1-11-9-13(10-14(25-11)19(20,21)22)15-16(12-5-3-2-4-6-12)26-18(23)27-8-7-24-17(15)27/h2-10H,1H3,(H2,23,26).
What are the key properties of 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine?
8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 477.26 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[difluoro(iodo)methyl]-6-methyl-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 146266687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).