8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine

C22H33N5O3 — CID 24768338

IUPAC8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine
SMILESCCCN(CCOC)c1nc(C)nc2c1NCCN2c1cc(OC)c(OC)cc1C
InChIInChI=1S/C22H33N5O3/c1-7-9-26(11-12-28-4)21-20-22(25-16(3)24-21)27(10-8-23-20)17-14-19(30-6)18(29-5)13-15(17)2/h13-14,23H,7-12H2,1-6H3
InChIKeyUYYWUTVXKGHMBC-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.54
Rot. Bonds9

About 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine

8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine (PubChem CID 24768338) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine.

Molecular Properties

Compound Name8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine
PubChem CID24768338
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine
SMILESCCCN(CCOC)c1nc(C)nc2c1NCCN2c1cc(OC)c(OC)cc1C
InChIInChI=1S/C22H33N5O3/c1-7-9-26(11-12-28-4)21-20-22(25-16(3)24-21)27(10-8-23-20)17-14-19(30-6)18(29-5)13-15(17)2/h13-14,23H,7-12H2,1-6H3
InChIKeyUYYWUTVXKGHMBC-UHFFFAOYSA-N
XLogP3.54
TPSA71.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine with MolForge

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Related Compounds

2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
Abanoquil
CID 164089
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
1-(4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-methoxy-1-propanone
CID 93514
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
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
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
Buquineran
CID 71953

Frequently Asked Questions

What is the IUPAC name of 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine?
The IUPAC name of 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine (CID 24768338) is 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine.
What is the SMILES notation for 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine?
The canonical SMILES for 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine is CCCN(CCOC)c1nc(C)nc2c1NCCN2c1cc(OC)c(OC)cc1C.
What is the InChIKey of 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine?
The InChIKey is UYYWUTVXKGHMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-7-9-26(11-12-28-4)21-20-22(25-16(3)24-21)27(10-8-23-20)17-14-19(30-6)18(29-5)13-15(17)2/h13-14,23H,7-12H2,1-6H3.
What are the key properties of 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine?
8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine has a molecular weight of 415.54 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,5-dimethoxy-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-N-propyl-6,7-dihydro-5H-pteridin-4-amine is sourced from PubChem (CID 24768338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).