7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine

C17H23N5 — CID 71603136

IUPAC7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine
SMILESCNC1CN(c2nc(N)nc3cc(C4CCCC4)ccc23)C1
InChIInChI=1S/C17H23N5/c1-19-13-9-22(10-13)16-14-7-6-12(11-4-2-3-5-11)8-15(14)20-17(18)21-16/h6-8,11,13,19H,2-5,9-10H2,1H3,(H2,18,20,21)
InChIKeyMJRWQKDJTQKTMJ-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.28
Rot. Bonds3

About 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine

7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine (PubChem CID 71603136) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine
PubChem CID71603136
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine
SMILESCNC1CN(c2nc(N)nc3cc(C4CCCC4)ccc23)C1
InChIInChI=1S/C17H23N5/c1-19-13-9-22(10-13)16-14-7-6-12(11-4-2-3-5-11)8-15(14)20-17(18)21-16/h6-8,11,13,19H,2-5,9-10H2,1H3,(H2,18,20,21)
InChIKeyMJRWQKDJTQKTMJ-UHFFFAOYSA-N
XLogP2.28
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine?
The IUPAC name of 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine (CID 71603136) is 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine.
What is the SMILES notation for 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine?
The canonical SMILES for 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine is CNC1CN(c2nc(N)nc3cc(C4CCCC4)ccc23)C1.
What is the InChIKey of 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine?
The InChIKey is MJRWQKDJTQKTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-19-13-9-22(10-13)16-14-7-6-12(11-4-2-3-5-11)8-15(14)20-17(18)21-16/h6-8,11,13,19H,2-5,9-10H2,1H3,(H2,18,20,21).
What are the key properties of 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine?
7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]quinazolin-2-amine is sourced from PubChem (CID 71603136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).