4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine

C19H21N5 — CID 166368992

IUPAC4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine
SMILESCN(C)c1nc(Nc2ccc3c(c2)CNCC3)nc2ccccc12
InChIInChI=1S/C19H21N5/c1-24(2)18-16-5-3-4-6-17(16)22-19(23-18)21-15-8-7-13-9-10-20-12-14(13)11-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22,23)
InChIKeyBWFRFPZGMWTWQS-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.09
Rot. Bonds3

About 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine

4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine (PubChem CID 166368992) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine
PubChem CID166368992
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine
SMILESCN(C)c1nc(Nc2ccc3c(c2)CNCC3)nc2ccccc12
InChIInChI=1S/C19H21N5/c1-24(2)18-16-5-3-4-6-17(16)22-19(23-18)21-15-8-7-13-9-10-20-12-14(13)11-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22,23)
InChIKeyBWFRFPZGMWTWQS-UHFFFAOYSA-N
XLogP3.09
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine (CID 166368992) is 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine is CN(C)c1nc(Nc2ccc3c(c2)CNCC3)nc2ccccc12.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine?
The InChIKey is BWFRFPZGMWTWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-24(2)18-16-5-3-4-6-17(16)22-19(23-18)21-15-8-7-13-9-10-20-12-14(13)11-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine?
4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 166368992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).