methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate

C23H21N5O4 — CID 122550270

IUPACmethyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(Oc2cc(N(C)c3nc(C)nc4ccccc34)ccc2OC)nc1
InChIInChI=1S/C23H21N5O4/c1-14-26-18-8-6-5-7-17(18)21(27-14)28(2)16-9-10-19(30-3)20(11-16)32-23-24-12-15(13-25-23)22(29)31-4/h5-13H,1-4H3
InChIKeyOVUJAOKZMXUQKE-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.08
Rot. Bonds6

About methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate

methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate (PubChem CID 122550270) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate
PubChem CID122550270
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Namemethyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(Oc2cc(N(C)c3nc(C)nc4ccccc34)ccc2OC)nc1
InChIInChI=1S/C23H21N5O4/c1-14-26-18-8-6-5-7-17(18)21(27-14)28(2)16-9-10-19(30-3)20(11-16)32-23-24-12-15(13-25-23)22(29)31-4/h5-13H,1-4H3
InChIKeyOVUJAOKZMXUQKE-UHFFFAOYSA-N
XLogP4.08
TPSA99.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate with MolForge

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Related Compounds

5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-N-nitrosopyrimidine-2-carboxamide
CID 122550144
2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide
CID 164621719
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
CID 140857190
2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
CID 164613666
N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine
CID 134186549
N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide
CID 134186537
methyl N-[2-[[4-(3,4-dimethoxy-N-methylanilino)quinazolin-2-yl]amino]ethyl]carbamate
CID 59237301
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
CID 122550155
N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine
CID 59648370
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate (CID 122550270) is methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate is COC(=O)c1cnc(Oc2cc(N(C)c3nc(C)nc4ccccc34)ccc2OC)nc1.
What is the InChIKey of methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate?
The InChIKey is OVUJAOKZMXUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-14-26-18-8-6-5-7-17(18)21(27-14)28(2)16-9-10-19(30-3)20(11-16)32-23-24-12-15(13-25-23)22(29)31-4/h5-13H,1-4H3.
What are the key properties of methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate?
methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate has a molecular weight of 431.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate is sourced from PubChem (CID 122550270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).