6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C23H23N5O3 — CID 68912324

IUPAC6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCOc1cccc(Nc2nc(N)nc3ccc(-c4ccc(OC)c(OC)c4)nc23)c1
InChIInChI=1S/C23H23N5O3/c1-4-31-16-7-5-6-15(13-16)25-22-21-18(27-23(24)28-22)10-9-17(26-21)14-8-11-19(29-2)20(12-14)30-3/h5-13H,4H2,1-3H3,(H3,24,25,27,28)
InChIKeyVGHIUXQTYGXAQS-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.43
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine

6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 68912324) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID68912324
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCOc1cccc(Nc2nc(N)nc3ccc(-c4ccc(OC)c(OC)c4)nc23)c1
InChIInChI=1S/C23H23N5O3/c1-4-31-16-7-5-6-15(13-16)25-22-21-18(27-23(24)28-22)10-9-17(26-21)14-8-11-19(29-2)20(12-14)30-3/h5-13H,4H2,1-3H3,(H3,24,25,27,28)
InChIKeyVGHIUXQTYGXAQS-UHFFFAOYSA-N
XLogP4.43
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3,4-dimethoxyphenyl)-4-ethoxypyrido[3,2-d]pyrimidin-2-amine;7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 68841354
6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 110172114
2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536406
1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine
CID 68914629
4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
CID 11164068
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59647867
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597242
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110597088
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 68912324) is 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CCOc1cccc(Nc2nc(N)nc3ccc(-c4ccc(OC)c(OC)c4)nc23)c1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is VGHIUXQTYGXAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-4-31-16-7-5-6-15(13-16)25-22-21-18(27-23(24)28-22)10-9-17(26-21)14-8-11-19(29-2)20(12-14)30-3/h5-13H,4H2,1-3H3,(H3,24,25,27,28).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 417.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68912324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).