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5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine

C30H33N11O2 — CID 146448695

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine
SMILESCc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)c(N4CC(N(C)C)C4)c23)ccc1Oc1cc2ncnn2cn1
InChIInChI=1S/C30H33N11O2/c1-18-10-19(6-9-23(18)43-25-11-24-32-16-35-41(24)17-34-25)36-28-26-21(31-15-33-28)7-8-22(37-29-38-30(2,3)14-42-29)27(26)40-12-20(13-40)39(4)5/h6-11,15-17,20H,12-14H2,1-5H3,(H,37,38)(H,31,33,36)
InChIKeyJFFXGCPGUQZSLO-UHFFFAOYSA-N
MW579.67 g/mol
LogP4.24
Rot. Bonds7

About 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine

5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine (PubChem CID 146448695) has the molecular formula C30H33N11O2 and a molecular weight of 579.67 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine
PubChem CID146448695
Molecular FormulaC30H33N11O2
Molecular Weight579.67 g/mol
Exact Mass579.28
IUPAC Name5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine
SMILESCc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)c(N4CC(N(C)C)C4)c23)ccc1Oc1cc2ncnn2cn1
InChIInChI=1S/C30H33N11O2/c1-18-10-19(6-9-23(18)43-25-11-24-32-16-35-41(24)17-34-25)36-28-26-21(31-15-33-28)7-8-22(37-29-38-30(2,3)14-42-29)27(26)40-12-20(13-40)39(4)5/h6-11,15-17,20H,12-14H2,1-5H3,(H,37,38)(H,31,33,36)
InChIKeyJFFXGCPGUQZSLO-UHFFFAOYSA-N
XLogP4.24
TPSA130.22 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.67
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine?
The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine (CID 146448695) is 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine?
The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine is Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)c(N4CC(N(C)C)C4)c23)ccc1Oc1cc2ncnn2cn1.
What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine?
The InChIKey is JFFXGCPGUQZSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N11O2/c1-18-10-19(6-9-23(18)43-25-11-24-32-16-35-41(24)17-34-25)36-28-26-21(31-15-33-28)7-8-22(37-29-38-30(2,3)14-42-29)27(26)40-12-20(13-40)39(4)5/h6-11,15-17,20H,12-14H2,1-5H3,(H,37,38)(H,31,33,36).
What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine?
5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine has a molecular weight of 579.67 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)azetidin-1-yl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 146448695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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