N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine

C16H20N4 — CID 62009705

IUPACN,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C16H20N4/c1-16(2)7-13(17-3)12-10-19-15(20-14(12)8-16)11-5-4-6-18-9-11/h4-6,9-10,13,17H,7-8H2,1-3H3
InChIKeyAPLLKVNVQAQIAC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.77
Rot. Bonds2

About N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine

N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 62009705) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound NameN,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID62009705
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C16H20N4/c1-16(2)7-13(17-3)12-10-19-15(20-14(12)8-16)11-5-4-6-18-9-11/h4-6,9-10,13,17H,7-8H2,1-3H3
InChIKeyAPLLKVNVQAQIAC-UHFFFAOYSA-N
XLogP2.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine (CID 62009705) is N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine is CNC1CC(C)(C)Cc2nc(-c3cccnc3)ncc21.
What is the InChIKey of N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is APLLKVNVQAQIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-16(2)7-13(17-3)12-10-19-15(20-14(12)8-16)11-5-4-6-18-9-11/h4-6,9-10,13,17H,7-8H2,1-3H3.
What are the key properties of N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine?
N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 62009705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).