5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine

C19H23N5O3 — CID 5583

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IUPAC5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
SMILESCOc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
InChIInChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
InChIKeyNOYPYLRCIDNJJB-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.74
Rot. Bonds6

About 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine

5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine (PubChem CID 5583) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
PubChem CID5583
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
SMILESCOc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
InChIInChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
InChIKeyNOYPYLRCIDNJJB-UHFFFAOYSA-N
XLogP2.74
TPSA117.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
Trimetrexate Glucuronate
CID 54949
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
5-Methyl-6-[(3,4,5-trimethoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 456204
JB-11 isethionate
CID 332299
6,7-dimethoxy-N~2~-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
CID 15990109
N6-[(3,4,5-trimethoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 291270
6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 5330462

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine?
The IUPAC name of 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine (CID 5583) is 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine is COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.
What is the InChIKey of 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine?
The InChIKey is NOYPYLRCIDNJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24).
What are the key properties of 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine?
5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine has a molecular weight of 369.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 5583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).