N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C20H17F3N4 — CID 46345928

IUPACN-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESFc1cccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)c1
InChIInChI=1S/C20H17F3N4/c21-15-3-1-2-13(8-15)11-27-7-6-18-14(12-27)10-24-20(25-18)26-19-5-4-16(22)9-17(19)23/h1-5,8-10H,6-7,11-12H2,(H,24,25,26)
InChIKeyPBGUVAQHHGHGNT-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.20
Rot. Bonds4

About N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 46345928) has the molecular formula C20H17F3N4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID46345928
Molecular FormulaC20H17F3N4
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESFc1cccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)c1
InChIInChI=1S/C20H17F3N4/c21-15-3-1-2-13(8-15)11-27-7-6-18-14(12-27)10-24-20(25-18)26-19-5-4-16(22)9-17(19)23/h1-5,8-10H,6-7,11-12H2,(H,24,25,26)
InChIKeyPBGUVAQHHGHGNT-UHFFFAOYSA-N
XLogP4.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 46345928) is N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Fc1cccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is PBGUVAQHHGHGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4/c21-15-3-1-2-13(8-15)11-27-7-6-18-14(12-27)10-24-20(25-18)26-19-5-4-16(22)9-17(19)23/h1-5,8-10H,6-7,11-12H2,(H,24,25,26).
What are the key properties of N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 370.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46345928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).