6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine

C20H18N6O2 — CID 117087219

IUPAC6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ncccn3)nc(Nc3ccccc3)c2cc1OC
InChIInChI=1S/C20H18N6O2/c1-27-16-11-14-15(12-17(16)28-2)24-20(26-19-21-9-6-10-22-19)25-18(14)23-13-7-4-3-5-8-13/h3-12H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyAIGIEYXTQYSFCS-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.92
Rot. Bonds6

About 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine

6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine (PubChem CID 117087219) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
PubChem CID117087219
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ncccn3)nc(Nc3ccccc3)c2cc1OC
InChIInChI=1S/C20H18N6O2/c1-27-16-11-14-15(12-17(16)28-2)24-20(26-19-21-9-6-10-22-19)25-18(14)23-13-7-4-3-5-8-13/h3-12H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyAIGIEYXTQYSFCS-UHFFFAOYSA-N
XLogP3.92
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine
CID 117091404
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 44532601
6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 117085172
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine
CID 58168023
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one
CID 110193650
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine (CID 117087219) is 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine is COc1cc2nc(Nc3ncccn3)nc(Nc3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine?
The InChIKey is AIGIEYXTQYSFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-27-16-11-14-15(12-17(16)28-2)24-20(26-19-21-9-6-10-22-19)25-18(14)23-13-7-4-3-5-8-13/h3-12H,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine?
6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine has a molecular weight of 374.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 117087219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).