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

C16H18N6 — CID 5328094

IUPAC4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCN(C)c1cccc(CNc2ncnc3cc(N)ncc23)c1
InChIInChI=1S/C16H18N6/c1-22(2)12-5-3-4-11(6-12)8-19-16-13-9-18-15(17)7-14(13)20-10-21-16/h3-7,9-10H,8H2,1-2H3,(H2,17,18)(H,19,20,21)
InChIKeyNUNYTOSAJZDUSJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.29
Rot. Bonds4

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

4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328094) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328094
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCN(C)c1cccc(CNc2ncnc3cc(N)ncc23)c1
InChIInChI=1S/C16H18N6/c1-22(2)12-5-3-4-11(6-12)8-19-16-13-9-18-15(17)7-14(13)20-10-21-16/h3-7,9-10H,8H2,1-2H3,(H2,17,18)(H,19,20,21)
InChIKeyNUNYTOSAJZDUSJ-UHFFFAOYSA-N
XLogP2.29
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328094) is 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine is CN(C)c1cccc(CNc2ncnc3cc(N)ncc23)c1.
What is the InChIKey of 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is NUNYTOSAJZDUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-22(2)12-5-3-4-11(6-12)8-19-16-13-9-18-15(17)7-14(13)20-10-21-16/h3-7,9-10H,8H2,1-2H3,(H2,17,18)(H,19,20,21).
What are the key properties of 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 294.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(dimethylamino)phenyl]methyl]pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).