7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine

C22H23N5O2 — CID 68629122

IUPAC7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCOc1ccc(-c2cc3c(c(NCc4ccncc4)n2)CN(C)C=N3)cc1OC
InChIInChI=1S/C22H23N5O2/c1-27-13-17-19(25-14-27)11-18(16-4-5-20(28-2)21(10-16)29-3)26-22(17)24-12-15-6-8-23-9-7-15/h4-11,14H,12-13H2,1-3H3,(H,24,26)
InChIKeySIXFMCNGRRVROK-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.88
Rot. Bonds6

About 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine

7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 68629122) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID68629122
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCOc1ccc(-c2cc3c(c(NCc4ccncc4)n2)CN(C)C=N3)cc1OC
InChIInChI=1S/C22H23N5O2/c1-27-13-17-19(25-14-27)11-18(16-4-5-20(28-2)21(10-16)29-3)26-22(17)24-12-15-6-8-23-9-7-15/h4-11,14H,12-13H2,1-3H3,(H,24,26)
InChIKeySIXFMCNGRRVROK-UHFFFAOYSA-N
XLogP3.88
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine with MolForge

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Related Compounds

7-(3-chloro-4-methoxyphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
CID 58092902
2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline
CID 10452797
3-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255771
N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide
CID 58093010
3-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propanamide;3-methyl-5-(pyridin-4-ylmethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66889182
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509293
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919972
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 58092941

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine (CID 68629122) is 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine is COc1ccc(-c2cc3c(c(NCc4ccncc4)n2)CN(C)C=N3)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is SIXFMCNGRRVROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-27-13-17-19(25-14-27)11-18(16-4-5-20(28-2)21(10-16)29-3)26-22(17)24-12-15-6-8-23-9-7-15/h4-11,14H,12-13H2,1-3H3,(H,24,26).
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine?
7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 389.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)-4H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 68629122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).