4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine

C15H21N5 — CID 83027690

IUPAC4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine
SMILESCC1CCCC(C)N1Nc1nc(N)nc2ccccc12
InChIInChI=1S/C15H21N5/c1-10-6-5-7-11(2)20(10)19-14-12-8-3-4-9-13(12)17-15(16)18-14/h3-4,8-11H,5-7H2,1-2H3,(H3,16,17,18,19)
InChIKeyHBPNSCJZMXOIEV-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.80
Rot. Bonds2

About 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine

4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine (PubChem CID 83027690) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine
PubChem CID83027690
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine
SMILESCC1CCCC(C)N1Nc1nc(N)nc2ccccc12
InChIInChI=1S/C15H21N5/c1-10-6-5-7-11(2)20(10)19-14-12-8-3-4-9-13(12)17-15(16)18-14/h3-4,8-11H,5-7H2,1-2H3,(H3,16,17,18,19)
InChIKeyHBPNSCJZMXOIEV-UHFFFAOYSA-N
XLogP2.80
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine (CID 83027690) is 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine is CC1CCCC(C)N1Nc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine?
The InChIKey is HBPNSCJZMXOIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-6-5-7-11(2)20(10)19-14-12-8-3-4-9-13(12)17-15(16)18-14/h3-4,8-11H,5-7H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine?
4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 83027690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).