N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine

C24H23FN4O3 — CID 68648109

IUPACN-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESFc1ccc(-c2cc(N3CCOCC3)nc(N(Cc3ccccc3)C3=COCO3)n2)cc1
InChIInChI=1S/C24H23FN4O3/c25-20-8-6-19(7-9-20)21-14-22(28-10-12-30-13-11-28)27-24(26-21)29(23-16-31-17-32-23)15-18-4-2-1-3-5-18/h1-9,14,16H,10-13,15,17H2
InChIKeyCKMWLAOHUPVGPK-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.93
Rot. Bonds6

About N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine

N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 68648109) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID68648109
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESFc1ccc(-c2cc(N3CCOCC3)nc(N(Cc3ccccc3)C3=COCO3)n2)cc1
InChIInChI=1S/C24H23FN4O3/c25-20-8-6-19(7-9-20)21-14-22(28-10-12-30-13-11-28)27-24(26-21)29(23-16-31-17-32-23)15-18-4-2-1-3-5-18/h1-9,14,16H,10-13,15,17H2
InChIKeyCKMWLAOHUPVGPK-UHFFFAOYSA-N
XLogP3.93
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine (CID 68648109) is N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine is Fc1ccc(-c2cc(N3CCOCC3)nc(N(Cc3ccccc3)C3=COCO3)n2)cc1.
What is the InChIKey of N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is CKMWLAOHUPVGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-20-8-6-19(7-9-20)21-14-22(28-10-12-30-13-11-28)27-24(26-21)29(23-16-31-17-32-23)15-18-4-2-1-3-5-18/h1-9,14,16H,10-13,15,17H2.
What are the key properties of N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine?
N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 434.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 68648109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).