8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine

C19H19N7O2 — CID 164822986

IUPAC8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine
SMILESCOc1cc(-c2ncc(C)cn2)cc2c(NC(C)c3nnc(C)o3)ncnc12
InChIInChI=1S/C19H19N7O2/c1-10-7-20-17(21-8-10)13-5-14-16(15(6-13)27-4)22-9-23-18(14)24-11(2)19-26-25-12(3)28-19/h5-9,11H,1-4H3,(H,22,23,24)
InChIKeyPMWPMYMVWQKCRM-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.27
Rot. Bonds5

About 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine

8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine (PubChem CID 164822986) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine
PubChem CID164822986
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine
SMILESCOc1cc(-c2ncc(C)cn2)cc2c(NC(C)c3nnc(C)o3)ncnc12
InChIInChI=1S/C19H19N7O2/c1-10-7-20-17(21-8-10)13-5-14-16(15(6-13)27-4)22-9-23-18(14)24-11(2)19-26-25-12(3)28-19/h5-9,11H,1-4H3,(H,22,23,24)
InChIKeyPMWPMYMVWQKCRM-UHFFFAOYSA-N
XLogP3.27
TPSA111.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine
CID 155339921
8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 175224339
8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
CID 175571129
6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide
CID 169093079
8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine
CID 155728834
8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155340059
6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline
CID 155354002
6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[(E)-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-yl]quinazolin-4-amine
CID 155728761
8-methoxy-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinazolin-4-amine
CID 175224351
2-[4-[(6-methylpyridazin-3-yl)methylamino]-6-(5-methylpyrimidin-2-yl)quinazolin-8-yl]oxyacetic acid;dihydrochloride
CID 155728635
6-bromo-8-methoxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155339984
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine
CID 100731706

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine?
The IUPAC name of 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine (CID 164822986) is 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine?
The canonical SMILES for 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine is COc1cc(-c2ncc(C)cn2)cc2c(NC(C)c3nnc(C)o3)ncnc12.
What is the InChIKey of 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine?
The InChIKey is PMWPMYMVWQKCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-10-7-20-17(21-8-10)13-5-14-16(15(6-13)27-4)22-9-23-18(14)24-11(2)19-26-25-12(3)28-19/h5-9,11H,1-4H3,(H,22,23,24).
What are the key properties of 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine?
8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine has a molecular weight of 377.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine is sourced from PubChem (CID 164822986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).