N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine

C15H18F2N4 — CID 119051061

IUPACN-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine
SMILESCN(C)CC1(Nc2ncnc3cc(F)c(F)cc23)CCC1
InChIInChI=1S/C15H18F2N4/c1-21(2)8-15(4-3-5-15)20-14-10-6-11(16)12(17)7-13(10)18-9-19-14/h6-7,9H,3-5,8H2,1-2H3,(H,18,19,20)
InChIKeySIKAXBUWDYYDPX-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.80
Rot. Bonds4

About N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine

N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine (PubChem CID 119051061) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine
PubChem CID119051061
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC NameN-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine
SMILESCN(C)CC1(Nc2ncnc3cc(F)c(F)cc23)CCC1
InChIInChI=1S/C15H18F2N4/c1-21(2)8-15(4-3-5-15)20-14-10-6-11(16)12(17)7-13(10)18-9-19-14/h6-7,9H,3-5,8H2,1-2H3,(H,18,19,20)
InChIKeySIKAXBUWDYYDPX-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine?
The IUPAC name of N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine (CID 119051061) is N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine.
What is the SMILES notation for N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine?
The canonical SMILES for N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine is CN(C)CC1(Nc2ncnc3cc(F)c(F)cc23)CCC1.
What is the InChIKey of N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine?
The InChIKey is SIKAXBUWDYYDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-21(2)8-15(4-3-5-15)20-14-10-6-11(16)12(17)7-13(10)18-9-19-14/h6-7,9H,3-5,8H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine?
N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine has a molecular weight of 292.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(dimethylamino)methyl]cyclobutyl]-6,7-difluoroquinazolin-4-amine is sourced from PubChem (CID 119051061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).