N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine

C23H29FN6O3 — CID 73203161

IUPACN-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
SMILESFc1ccc2c(c1)CCC2=NNc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C23H29FN6O3/c24-18-2-3-19-17(15-18)1-4-20(19)27-28-21-16-22(30-8-12-32-13-9-30)26-23(25-21)33-14-7-29-5-10-31-11-6-29/h2-3,15-16H,1,4-14H2,(H,25,26,28)
InChIKeyFOZQAWUSBLOSKD-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.93
Rot. Bonds7

About N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine

N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine (PubChem CID 73203161) has the molecular formula C23H29FN6O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
PubChem CID73203161
Molecular FormulaC23H29FN6O3
Molecular Weight456.52 g/mol
Exact Mass456.23
IUPAC NameN-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
SMILESFc1ccc2c(c1)CCC2=NNc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C23H29FN6O3/c24-18-2-3-19-17(15-18)1-4-20(19)27-28-21-16-22(30-8-12-32-13-9-30)26-23(25-21)33-14-7-29-5-10-31-11-6-29/h2-3,15-16H,1,4-14H2,(H,25,26,28)
InChIKeyFOZQAWUSBLOSKD-UHFFFAOYSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine (CID 73203161) is N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine is Fc1ccc2c(c1)CCC2=NNc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The InChIKey is FOZQAWUSBLOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O3/c24-18-2-3-19-17(15-18)1-4-20(19)27-28-21-16-22(30-8-12-32-13-9-30)26-23(25-21)33-14-7-29-5-10-31-11-6-29/h2-3,15-16H,1,4-14H2,(H,25,26,28).
What are the key properties of N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine has a molecular weight of 456.52 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 73203161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).