1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine

C23H30Cl2N8 — CID 5328176

IUPAC1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H30Cl2N8/c1-4-27-22(26)31-21-16(19-17(24)9-7-10-18(19)25)13-15-14-29-23(32-20(15)30-21)28-11-8-12-33(5-2)6-3/h7,9-10,13-14H,4-6,8,11-12H2,1-3H3,(H4,26,27,28,29,30,31,32)
InChIKeyWQCJZQKFYNKIOG-UHFFFAOYSA-N
MW489.46 g/mol
LogP4.89
Rot. Bonds10

About 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine

1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine (PubChem CID 5328176) has the molecular formula C23H30Cl2N8 and a molecular weight of 489.46 g/mol. Its IUPAC name is 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine.

Molecular Properties

Compound Name1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine
PubChem CID5328176
Molecular FormulaC23H30Cl2N8
Molecular Weight489.46 g/mol
Exact Mass488.20
IUPAC Name1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H30Cl2N8/c1-4-27-22(26)31-21-16(19-17(24)9-7-10-18(19)25)13-15-14-29-23(32-20(15)30-21)28-11-8-12-33(5-2)6-3/h7,9-10,13-14H,4-6,8,11-12H2,1-3H3,(H4,26,27,28,29,30,31,32)
InChIKeyWQCJZQKFYNKIOG-UHFFFAOYSA-N
XLogP4.89
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine?
The IUPAC name of 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine (CID 5328176) is 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine.
What is the SMILES notation for 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine?
The canonical SMILES for 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine is CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine?
The InChIKey is WQCJZQKFYNKIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N8/c1-4-27-22(26)31-21-16(19-17(24)9-7-10-18(19)25)13-15-14-29-23(32-20(15)30-21)28-11-8-12-33(5-2)6-3/h7,9-10,13-14H,4-6,8,11-12H2,1-3H3,(H4,26,27,28,29,30,31,32).
What are the key properties of 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine?
1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine has a molecular weight of 489.46 g/mol, XLogP of 4.89, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-2-ethylguanidine is sourced from PubChem (CID 5328176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).