5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine

C21H21N7O2 — CID 177195577

IUPAC5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(C)c(Oc2nc(Nc3nccnc3C)cc3ncnc(N)c23)c1C
InChIInChI=1S/C21H21N7O2/c1-11-5-6-15(29-4)12(2)18(11)30-21-17-14(25-10-26-19(17)22)9-16(28-21)27-20-13(3)23-7-8-24-20/h5-10H,1-4H3,(H2,22,25,26)(H,24,27,28)
InChIKeyLYHHVLFUNRFAHZ-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.87
Rot. Bonds5

About 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine

5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 177195577) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID177195577
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(C)c(Oc2nc(Nc3nccnc3C)cc3ncnc(N)c23)c1C
InChIInChI=1S/C21H21N7O2/c1-11-5-6-15(29-4)12(2)18(11)30-21-17-14(25-10-26-19(17)22)9-16(28-21)27-20-13(3)23-7-8-24-20/h5-10H,1-4H3,(H2,22,25,26)(H,24,27,28)
InChIKeyLYHHVLFUNRFAHZ-UHFFFAOYSA-N
XLogP3.87
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

1,6-Naphthyridine 20
CID 5330130
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
1,6-Naphthyridine 17
CID 5330127
1,6-Naphthyridine 16
CID 5330126
1,6-Naphthyridine 25
CID 5330135
103D5R
CID 11267663
6-[(3,5-Dipropoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 9843702
6-[(3,5-Dimethoxyanilino)methyl]pteridine-2,4-diamine
CID 456432
6-[(5-Methoxy-2-methyl-anilino)methyl]pteridine-2,4-diamine
CID 457334
N6-[(2,3,4-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479410
N6-[(2,4,6-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479414
4-(3-Methoxyphenoxy)-2-(pyridin-4-yl)quinazoline
CID 930151

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 177195577) is 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine is COc1ccc(C)c(Oc2nc(Nc3nccnc3C)cc3ncnc(N)c23)c1C.
What is the InChIKey of 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is LYHHVLFUNRFAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-11-5-6-15(29-4)12(2)18(11)30-21-17-14(25-10-26-19(17)22)9-16(28-21)27-20-13(3)23-7-8-24-20/h5-10H,1-4H3,(H2,22,25,26)(H,24,27,28).
What are the key properties of 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine?
5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 403.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-2,6-dimethylphenoxy)-7-N-(3-methylpyrazin-2-yl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 177195577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).