6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine

C20H17N5O — CID 44527657

IUPAC6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccc(C)n3)nc(Nc3ccncc3)c2c1
InChIInChI=1S/C20H17N5O/c1-13-4-3-5-18(22-13)20-24-17-7-6-15(26-2)12-16(17)19(25-20)23-14-8-10-21-11-9-14/h3-12H,1-2H3,(H,21,23,24,25)
InChIKeyLWGGWWDJGWOIJI-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.15
Rot. Bonds4

About 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine

6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine (PubChem CID 44527657) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine
PubChem CID44527657
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccc(C)n3)nc(Nc3ccncc3)c2c1
InChIInChI=1S/C20H17N5O/c1-13-4-3-5-18(22-13)20-24-17-7-6-15(26-2)12-16(17)19(25-20)23-14-8-10-21-11-9-14/h3-12H,1-2H3,(H,21,23,24,25)
InChIKeyLWGGWWDJGWOIJI-UHFFFAOYSA-N
XLogP4.15
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
6-Methoxyquinazoline
CID 13126887
CP-31398
CID 9950868
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
2,4-Diamino-6-(N-(3',5'-Dimethoxybenzyl)-N-Methylamino)Pyrido(2,3-D)Pyrimidine
CID 447022
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine (CID 44527657) is 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine is COc1ccc2nc(-c3cccc(C)n3)nc(Nc3ccncc3)c2c1.
What is the InChIKey of 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine?
The InChIKey is LWGGWWDJGWOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-4-3-5-18(22-13)20-24-17-7-6-15(26-2)12-16(17)19(25-20)23-14-8-10-21-11-9-14/h3-12H,1-2H3,(H,21,23,24,25).
What are the key properties of 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine?
6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine has a molecular weight of 343.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 44527657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).