2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

C18H19Cl2N5O — CID 118289621

IUPAC2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCNc1nc(N)nc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C18H19Cl2N5O/c1-2-3-4-8-22-15-11-9-10(14-12(19)6-5-7-13(14)20)17(26)23-16(11)25-18(21)24-15/h5-7,9H,2-4,8H2,1H3,(H4,21,22,23,24,25,26)
InChIKeyOOSXURBLTNFQEK-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.48
Rot. Bonds6

About 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118289621) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID118289621
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCNc1nc(N)nc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C18H19Cl2N5O/c1-2-3-4-8-22-15-11-9-10(14-12(19)6-5-7-13(14)20)17(26)23-16(11)25-18(21)24-15/h5-7,9H,2-4,8H2,1H3,(H4,21,22,23,24,25,26)
InChIKeyOOSXURBLTNFQEK-UHFFFAOYSA-N
XLogP4.48
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 118289621) is 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is CCCCCNc1nc(N)nc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc12.
What is the InChIKey of 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OOSXURBLTNFQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-2-3-4-8-22-15-11-9-10(14-12(19)6-5-7-13(14)20)17(26)23-16(11)25-18(21)24-15/h5-7,9H,2-4,8H2,1H3,(H4,21,22,23,24,25,26).
What are the key properties of 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 392.29 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dichlorophenyl)-4-(pentylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118289621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).