N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine

C15H17FN4 — CID 118239672

IUPACN-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine
SMILESCN1CCCc2c(NCc3ccccc3)nc(F)nc21
InChIInChI=1S/C15H17FN4/c1-20-9-5-8-12-13(18-15(16)19-14(12)20)17-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,17,18,19)
InChIKeyFZQPYRDPPCGNMO-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.61
Rot. Bonds3

About N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine

N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 118239672) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine
PubChem CID118239672
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC NameN-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine
SMILESCN1CCCc2c(NCc3ccccc3)nc(F)nc21
InChIInChI=1S/C15H17FN4/c1-20-9-5-8-12-13(18-15(16)19-14(12)20)17-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,17,18,19)
InChIKeyFZQPYRDPPCGNMO-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine (CID 118239672) is N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine is CN1CCCc2c(NCc3ccccc3)nc(F)nc21.
What is the InChIKey of N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FZQPYRDPPCGNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-20-9-5-8-12-13(18-15(16)19-14(12)20)17-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine?
N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 272.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118239672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).