6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine

C13H10IN5 — CID 123610590

IUPAC6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine
SMILESNc1nc(-c2cnccn2)nc2ccc(CI)cc12
InChIInChI=1S/C13H10IN5/c14-6-8-1-2-10-9(5-8)12(15)19-13(18-10)11-7-16-3-4-17-11/h1-5,7H,6H2,(H2,15,18,19)
InChIKeyKTHIZAQCMCRVNA-UHFFFAOYSA-N
MW363.16 g/mol
LogP2.60
Rot. Bonds2

About 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine

6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine (PubChem CID 123610590) has the molecular formula C13H10IN5 and a molecular weight of 363.16 g/mol. Its IUPAC name is 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine
PubChem CID123610590
Molecular FormulaC13H10IN5
Molecular Weight363.16 g/mol
Exact Mass363.00
IUPAC Name6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine
SMILESNc1nc(-c2cnccn2)nc2ccc(CI)cc12
InChIInChI=1S/C13H10IN5/c14-6-8-1-2-10-9(5-8)12(15)19-13(18-10)11-7-16-3-4-17-11/h1-5,7H,6H2,(H2,15,18,19)
InChIKeyKTHIZAQCMCRVNA-UHFFFAOYSA-N
XLogP2.60
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 52.60
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

6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine
CID 67297986
5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305058
6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 45274329
5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66298641
2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 68605859
2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 146268686
4-amino-2-pyridin-3-ylquinazolin-6-ol
CID 141310515
2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine
CID 71180731
disilver;tetrakis(6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate
CID 139144282
ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976488
5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine
CID 67298464
4-amino-2-pyrazin-2-ylpyrimidine-5-carboxamide
CID 116647862

Frequently Asked Questions

What is the IUPAC name of 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine?
The IUPAC name of 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine (CID 123610590) is 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine?
The canonical SMILES for 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine is Nc1nc(-c2cnccn2)nc2ccc(CI)cc12.
What is the InChIKey of 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine?
The InChIKey is KTHIZAQCMCRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN5/c14-6-8-1-2-10-9(5-8)12(15)19-13(18-10)11-7-16-3-4-17-11/h1-5,7H,6H2,(H2,15,18,19).
What are the key properties of 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine?
6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine has a molecular weight of 363.16 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine is sourced from PubChem (CID 123610590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).