4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C17H19N5O — CID 133396106

IUPAC4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCOCc1ccccc1CNc1ncnc2nc(N)ccc12
InChIInChI=1S/C17H19N5O/c1-2-23-10-13-6-4-3-5-12(13)9-19-16-14-7-8-15(18)22-17(14)21-11-20-16/h3-8,11H,2,9-10H2,1H3,(H3,18,19,20,21,22)
InChIKeySPDKGTRXKSBJPI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.76
Rot. Bonds6

About 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133396106) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133396106
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCOCc1ccccc1CNc1ncnc2nc(N)ccc12
InChIInChI=1S/C17H19N5O/c1-2-23-10-13-6-4-3-5-12(13)9-19-16-14-7-8-15(18)22-17(14)21-11-20-16/h3-8,11H,2,9-10H2,1H3,(H3,18,19,20,21,22)
InChIKeySPDKGTRXKSBJPI-UHFFFAOYSA-N
XLogP2.76
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133439662
5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192856
4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86805500
4-chloro-6-[[2-(ethoxymethyl)phenyl]methylamino]pyrimidine-5-carbaldehyde
CID 106192866
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
2-N-[[2-(ethoxymethyl)phenyl]methyl]pyrazine-2,6-diamine
CID 78988831
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408062

Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133396106) is 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CCOCc1ccccc1CNc1ncnc2nc(N)ccc12.
What is the InChIKey of 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is SPDKGTRXKSBJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-23-10-13-6-4-3-5-12(13)9-19-16-14-7-8-15(18)22-17(14)21-11-20-16/h3-8,11H,2,9-10H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 309.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133396106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).