6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine

C28H26FN7 — CID 165389459

IUPAC6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine
SMILESCc1cccc(F)c1-c1nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2c2cnccc12
InChIInChI=1S/C28H26FN7/c1-18-4-3-5-23(29)25(18)27-21-10-11-30-16-22(21)26-24(33-27)17-31-28(34-26)32-19-6-8-20(9-7-19)36-14-12-35(2)13-15-36/h3-11,16-17H,12-15H2,1-2H3,(H,31,32,34)
InChIKeyNVBRFLVMZFBOJD-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.18
Rot. Bonds4

About 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine

6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine (PubChem CID 165389459) has the molecular formula C28H26FN7 and a molecular weight of 479.56 g/mol. Its IUPAC name is 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine.

Molecular Properties

Compound Name6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine
PubChem CID165389459
Molecular FormulaC28H26FN7
Molecular Weight479.56 g/mol
Exact Mass479.22
IUPAC Name6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine
SMILESCc1cccc(F)c1-c1nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2c2cnccc12
InChIInChI=1S/C28H26FN7/c1-18-4-3-5-23(29)25(18)27-21-10-11-30-16-22(21)26-24(33-27)17-31-28(34-26)32-19-6-8-20(9-7-19)36-14-12-35(2)13-15-36/h3-11,16-17H,12-15H2,1-2H3,(H,31,32,34)
InChIKeyNVBRFLVMZFBOJD-UHFFFAOYSA-N
XLogP5.18
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-6-(2-methyl-6-propan-2-ylphenyl)pyrimido[5,4-c][2,6]naphthyridin-2-amine
CID 165389483
6-(2-chloro-6-fluorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyridazin-5-one
CID 71224160
5-fluoro-4-imidazol-1-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383489
4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383458
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-d]pyridazin-5-one
CID 71223947
8-[(2,6-difluorophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 66760637
5-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 66637307
4-N,5-dimethyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;tris(phosphanyl)phosphane
CID 157145988
4-N-[(2-fluorophenyl)methyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112891199
3-N-(2,6-difluorophenyl)-5-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112969007
2-N-(2-methylphenyl)-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901856

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine?
The IUPAC name of 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine (CID 165389459) is 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine.
What is the SMILES notation for 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine?
The canonical SMILES for 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine is Cc1cccc(F)c1-c1nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2c2cnccc12.
What is the InChIKey of 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine?
The InChIKey is NVBRFLVMZFBOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7/c1-18-4-3-5-23(29)25(18)27-21-10-11-30-16-22(21)26-24(33-27)17-31-28(34-26)32-19-6-8-20(9-7-19)36-14-12-35(2)13-15-36/h3-11,16-17H,12-15H2,1-2H3,(H,31,32,34).
What are the key properties of 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine?
6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine has a molecular weight of 479.56 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,6]naphthyridin-2-amine is sourced from PubChem (CID 165389459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).