2,7-dichloro-N-propan-2-ylquinazolin-4-amine

C11H11Cl2N3 — CID 114693126

IUPAC2,7-dichloro-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(Cl)nc2cc(Cl)ccc12
InChIInChI=1S/C11H11Cl2N3/c1-6(2)14-10-8-4-3-7(12)5-9(8)15-11(13)16-10/h3-6H,1-2H3,(H,14,15,16)
InChIKeyZLYYMEDAVDLXRE-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.76
Rot. Bonds2

About 2,7-dichloro-N-propan-2-ylquinazolin-4-amine

2,7-dichloro-N-propan-2-ylquinazolin-4-amine (PubChem CID 114693126) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2,7-dichloro-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name2,7-dichloro-N-propan-2-ylquinazolin-4-amine
PubChem CID114693126
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2,7-dichloro-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(Cl)nc2cc(Cl)ccc12
InChIInChI=1S/C11H11Cl2N3/c1-6(2)14-10-8-4-3-7(12)5-9(8)15-11(13)16-10/h3-6H,1-2H3,(H,14,15,16)
InChIKeyZLYYMEDAVDLXRE-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
2-chloro-7-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
CID 114693358
2,7-dichloro-N-cyclopropylquinazolin-4-amine
CID 114693120
2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine
CID 114693032
4-bromo-7-chloro-3-cyclopropyl-N-propan-2-ylisoquinolin-1-amine
CID 53386691
2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
CID 114693172
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
CID 25178132
azane;4-chlorocyclopropa[b]indole
CID 174412946
N-(2,6-dichloroquinazolin-4-yl)acetamide
CID 133062371
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 176979256
2-chloro-N-(4-methylpent-1-yn-3-yl)quinazolin-4-amine
CID 114202742

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 2,7-dichloro-N-propan-2-ylquinazolin-4-amine (CID 114693126) is 2,7-dichloro-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 2,7-dichloro-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 2,7-dichloro-N-propan-2-ylquinazolin-4-amine is CC(C)Nc1nc(Cl)nc2cc(Cl)ccc12.
What is the InChIKey of 2,7-dichloro-N-propan-2-ylquinazolin-4-amine?
The InChIKey is ZLYYMEDAVDLXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-6(2)14-10-8-4-3-7(12)5-9(8)15-11(13)16-10/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 2,7-dichloro-N-propan-2-ylquinazolin-4-amine?
2,7-dichloro-N-propan-2-ylquinazolin-4-amine has a molecular weight of 256.14 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 114693126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).