4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine

C19H31N5 — CID 70971215

IUPAC4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
SMILESCC1CCN(C)C[C@H]1Nc1nc(N)nc2c1CCCC21CCCC1
InChIInChI=1S/C19H31N5/c1-13-7-11-24(2)12-15(13)21-17-14-6-5-10-19(8-3-4-9-19)16(14)22-18(20)23-17/h13,15H,3-12H2,1-2H3,(H3,20,21,22,23)/t13?,15-/m1/s1
InChIKeyUOABBHMISHZESS-AWKYBWMHSA-N
MW329.49 g/mol
LogP2.96
Rot. Bonds2

About 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine

4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine (PubChem CID 70971215) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
PubChem CID70971215
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
SMILESCC1CCN(C)C[C@H]1Nc1nc(N)nc2c1CCCC21CCCC1
InChIInChI=1S/C19H31N5/c1-13-7-11-24(2)12-15(13)21-17-14-6-5-10-19(8-3-4-9-19)16(14)22-18(20)23-17/h13,15H,3-12H2,1-2H3,(H3,20,21,22,23)/t13?,15-/m1/s1
InChIKeyUOABBHMISHZESS-AWKYBWMHSA-N
XLogP2.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The IUPAC name of 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine (CID 70971215) is 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine.
What is the SMILES notation for 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The canonical SMILES for 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine is CC1CCN(C)C[C@H]1Nc1nc(N)nc2c1CCCC21CCCC1.
What is the InChIKey of 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The InChIKey is UOABBHMISHZESS-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H31N5/c1-13-7-11-24(2)12-15(13)21-17-14-6-5-10-19(8-3-4-9-19)16(14)22-18(20)23-17/h13,15H,3-12H2,1-2H3,(H3,20,21,22,23)/t13?,15-/m1/s1.
What are the key properties of 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine has a molecular weight of 329.49 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3S)-1,4-dimethylpiperidin-3-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine is sourced from PubChem (CID 70971215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).