6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C27H24FN5O2 — CID 59353135

IUPAC6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3cccc(F)c3)c(CN)c(NCc3ccc4ccccc4c3)nc2n(C)c1=O
InChIInChI=1S/C27H24FN5O2/c1-32-25-23(26(34)33(2)27(32)35)22(19-8-5-9-20(28)13-19)21(14-29)24(31-25)30-15-16-10-11-17-6-3-4-7-18(17)12-16/h3-13H,14-15,29H2,1-2H3,(H,30,31)
InChIKeyLXCUUDOCJVVZPN-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.66
Rot. Bonds5

About 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione

6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 59353135) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID59353135
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3cccc(F)c3)c(CN)c(NCc3ccc4ccccc4c3)nc2n(C)c1=O
InChIInChI=1S/C27H24FN5O2/c1-32-25-23(26(34)33(2)27(32)35)22(19-8-5-9-20(28)13-19)21(14-29)24(31-25)30-15-16-10-11-17-6-3-4-7-18(17)12-16/h3-13H,14-15,29H2,1-2H3,(H,30,31)
InChIKeyLXCUUDOCJVVZPN-UHFFFAOYSA-N
XLogP3.66
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 59353135) is 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3cccc(F)c3)c(CN)c(NCc3ccc4ccccc4c3)nc2n(C)c1=O.
What is the InChIKey of 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LXCUUDOCJVVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c1-32-25-23(26(34)33(2)27(32)35)22(19-8-5-9-20(28)13-19)21(14-29)24(31-25)30-15-16-10-11-17-6-3-4-7-18(17)12-16/h3-13H,14-15,29H2,1-2H3,(H,30,31).
What are the key properties of 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 469.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 59353135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).